PYRABROM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H23N3O.C7H7BrN4O2
Molecular Weight	544.444
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N=C(Br)N2)C(=O)N(C)C1=O.COC3=CC=C(CN(CCN(C)C)C4=CC=CC=N4)C=C3

InChI

InChIKey=XMOLCXIDFCGXAR-UHFFFAOYSA-N

InChI=1S/C17H23N3O.C7H7BrN4O2/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11H,12-14H2,1-3H3;1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C17H23N3O
Molecular Weight	285.384
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H7BrN4O2
Molecular Weight	259.06
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:08:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:08:30 UTC 2023`
Record UNII	360MH2GO0I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRABROM

Official Name

English

PYRABROM [USAN]

Common Name

English

1H-PURINE-2,6-DIONE, 8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL, COMPD. WITH N-((4-METHOXYPHENYL)METHYL)-N',N'-DIMETHYL-N-2-PYRIDINYL-1,2-ETHANEDIAMINE (1:1)

Common Name

English

8-BROMOTHEOPHYLLINE COMPOUND WITH 2-((2-(DIMETHYLAMINO)ETHYL)(P-METHOXYBENZYL)AMINO)PYRIDINE (1:1)

Common Name

English

SMP-68-40

Code

English

SMP 68-40

Code

English

NSC-14279

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29578