4-[2-(2,4,6-triaminopyrimidin-5-yl)diazen-1-yl]benzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11N7O2
Molecular Weight	273.2507
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-[2-(2,4,6-triaminopyrimidin-5-yl)diazen-1-yl]benzoic acid

Structure Search

SMILES

NC1=NC(N)=C(N=NC2=CC=C(C=C2)C(O)=O)C(N)=N1

InChI

InChIKey=KJXBXATYKAWGBL-ISLYRVAYSA-N

InChI=1S/C11H11N7O2/c12-8-7(9(13)16-11(14)15-8)18-17-6-3-1-5(2-4-6)10(19)20/h1-4H,(H,19,20)(H6,12,13,14,15,16)/b18-17+

HIDE SMILES / InChI

Molecular Formula	C11H11N7O2
Molecular Weight	273.2507
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 `Tue Apr 01 19:33:45 GMT 2025` Edited by `admin` on `Tue Apr 01 19:33:45 GMT 2025`
Record UNII	H8JS744ETM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[2-(2,4,6-triaminopyrimidin-5-yl)diazen-1-yl]benzoic acid

Systematic Name

English

NSC-408734

Preferred Name

English

BENZOIC ACID, P-((2,4,6-TRIAMINO-5-PYRIMIDINYL)AZO)-

Common Name

English

Benzoic acid, 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]-

Systematic Name

English

Code System Code Type Description

NSC

408734

Created by admin on Tue Apr 01 19:33:45 GMT 2025 , Edited by admin on Tue Apr 01 19:33:45 GMT 2025

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PUBCHEM

17893

Created by admin on Tue Apr 01 19:33:45 GMT 2025 , Edited by admin on Tue Apr 01 19:33:45 GMT 2025

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FDA UNII

H8JS744ETM

Created by admin on Tue Apr 01 19:33:45 GMT 2025 , Edited by admin on Tue Apr 01 19:33:45 GMT 2025

PRIMARY

CAS

2878-04-8

Created by admin on Tue Apr 01 19:33:45 GMT 2025 , Edited by admin on Tue Apr 01 19:33:45 GMT 2025

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Related Record Type Details


					2UJ5K4ST4X

Sodium, 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoate

SALT/SOLVATE -> PARENT

Amount: