Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H22N6O2 |
| Molecular Weight | 414.4598 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(NCC#N)C1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4)=NC=C2
InChI
InChIKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N
InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
Approval Year
| Name | Type | Language | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1967
Created by
admin on Sat Dec 16 17:21:48 UTC 2023 , Edited by admin on Sat Dec 16 17:21:48 UTC 2023
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NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 17:21:48 UTC 2023 , Edited by admin on Sat Dec 16 17:21:48 UTC 2023
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FDA ORPHAN DRUG |
311610
Created by
admin on Sat Dec 16 17:21:48 UTC 2023 , Edited by admin on Sat Dec 16 17:21:48 UTC 2023
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| Code System | Code | Type | Description | ||
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DB11763
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C88311
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XX-160
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9480
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6O01GMS00P
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DTXSID801026049
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100000163080
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25062766
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CYT387
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CHEMBL1078178
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91407
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1056634-68-4
Created by
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SUB177206
Created by
admin on Sat Dec 16 17:21:48 UTC 2023 , Edited by admin on Sat Dec 16 17:21:48 UTC 2023
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ACTIVE MOIETY
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
METABOLITE (PARENT)
![Structure of 4-[2-[(4-Aminophenyl)amino]-4-pyrimidinyl]-N-(cyanomethyl)benzamide](/img/4dcdccfe-50ce-4151-92a0-636661d35b06.svg "Structure of 4-[2-[(4-Aminophenyl)amino]-4-pyrimidinyl]-N-(cyanomethyl)benzamide")
METABOLITE ACTIVE (PARENT)
SALT/SOLVATE (PARENT)
SALT/SOLVATE (PARENT)
