3-((4-(((2,4-DIAMINO-5-METHYL-6-QUINAZOLINYL)METHYL)AMINO)BENZOYL)AMINO)PENTANEDIOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H24N6O5
Molecular Weight	452.4632
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((4-(((2,4-DIAMINO-5-METHYL-6-QUINAZOLINYL)METHYL)AMINO)BENZOYL)AMINO)PENTANEDIOIC ACID

Structure Search

SMILES

CC1=C(CNC2=CC=C(C=C2)C(=O)NC(CC(O)=O)CC(O)=O)C=CC3=NC(N)=NC(N)=C13

InChI

InChIKey=WSUHKUHBZFBXJE-UHFFFAOYSA-N

InChI=1S/C22H24N6O5/c1-11-13(4-7-16-19(11)20(23)28-22(24)27-16)10-25-14-5-2-12(3-6-14)21(33)26-15(8-17(29)30)9-18(31)32/h2-7,15,25H,8-10H2,1H3,(H,26,33)(H,29,30)(H,31,32)(H4,23,24,27,28)

HIDE SMILES / InChI

Molecular Formula	C22H24N6O5
Molecular Weight	452.4632
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 19:51:05 GMT 2025` Edited by `admin` on `Tue Apr 01 19:51:05 GMT 2025`
Record UNII	F3T5N663O6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-129516

Preferred Name

English

3-((4-(((2,4-DIAMINO-5-METHYL-6-QUINAZOLINYL)METHYL)AMINO)BENZOYL)AMINO)PENTANEDIOIC ACID

Systematic Name

English

PENTANEDIOIC ACID, 3-((4-(((2,4-DIAMINO-5-METHYL-6-QUINAZOLINYL)METHYL)AMINO)BENZOYL)AMINO)-

Common Name

English

Code System Code Type Description

CAS

69827-75-4