Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H15N7 |
| Molecular Weight | 281.3158 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy for E and Z-isomers are 7.8031 and 19.4013 kcal/mol respectively) |
SHOW SMILES / InChI
SMILES
NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1
InChI
InChIKey=XNYZHCFCZNMTFY-UHFFFAOYSA-N
InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
| Molecular Formula | C14H15N7 |
| Molecular Weight | 281.3158 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:15:18 UTC 2023
by
admin
on
Sat Dec 16 16:15:18 UTC 2023
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| Record UNII |
Y5G36EEA5Z
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| Record Status |
Validated (UNII)
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| Record Version |
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C277
Created by
admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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WHO-VATC |
QP51AX07
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admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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WHO-VATC |
QP51AF01
Created by
admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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| Code System | Code | Type | Description | ||
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CHEMBL35241
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PRIMARY | |||
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DTXSID7043792
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536-71-0
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NON-SPECIFIC STEREOCHEMISTRY | |||
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100000082648
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PRIMARY | |||
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D004133
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1443105-71-2
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208-644-6
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SUB07185MIG
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2107
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DB03608
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C65409
Created by
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Y5G36EEA5Z
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admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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PRIMARY | |||
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DIMINAZEN
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admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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2354
Created by
admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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81724
Created by
admin on Sat Dec 16 16:15:18 UTC 2023 , Edited by admin on Sat Dec 16 16:15:18 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
