4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13N3O
Molecular Weight	227.2618
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one

Structure Search

SMILES

CC1=C(N)C=C(N)C(=C1)N=C2C=CC(=O)C=C2

InChI

InChIKey=HAXAVAPYQCRUSA-UHFFFAOYSA-N

InChI=1S/C13H13N3O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9/h2-7H,14-15H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H13N3O
Molecular Weight	227.2618
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 `Tue Apr 01 19:23:16 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:16 GMT 2025`
Record UNII	T95E73ZC4A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one

Systematic Name

English

4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one

Preferred Name

English

4-[(2,4-Diamino-5-methylphenyl)imino]-2,5-cyclohexadien-1-one

Systematic Name

English

NSC-92803

Code

English

2,5-Cyclohexadien-1-one, 4-[(2,4-diamino-5-methylphenyl)imino]-

Systematic Name

English

Code System Code Type Description

NSC

92803

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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PUBCHEM

67134

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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ECHA (EC/EINECS)

204-457-9

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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CAS

121-23-3

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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FDA UNII

T95E73ZC4A

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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EPA CompTox

DTXSID30153098

Created by admin on Tue Apr 01 19:23:16 GMT 2025 , Edited by admin on Tue Apr 01 19:23:16 GMT 2025

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