4-(((7S)-7-HYDROXY-2-OXO-1,5,6,7-TETRAHYDROCYCLOPENTA(D)PYRIMIDIN-4-YL)AMINO)BENZONITRILE

O[C@H]1CCC2=C1NC(=O)N=C2NC3=CC=C(C=C3)C#N

InChIKey=XNDFWHDLBSFBML-NSHDSACASA-N

InChI=1S/C14H12N4O2/c15-7-8-1-3-9(4-2-8)16-13-10-5-6-11(19)12(10)17-14(20)18-13/h1-4,11,19H,5-6H2,(H2,16,17,18,20)/t11-/m0/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:40:45 GMT 2025` Edited by `admin` on `Wed Apr 02 00:40:45 GMT 2025`
Record UNII	82G953Z0V1
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

4-(((7S)-7-HYDROXY-2-OXO-1,5,6,7-TETRAHYDROCYCLOPENTA(D)PYRIMIDIN-4-YL)AMINO)BENZONITRILE

Systematic Name

English

BENZONITRILE, 4-(((7S)-2,5,6,7-TETRAHYDRO-7-HYDROXY-2-OXO-1H-CYCLOPENTAPYRIMIDIN-4-YL)AMINO)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

134823886

Created by admin on Wed Apr 02 00:40:45 GMT 2025 , Edited by admin on Wed Apr 02 00:40:45 GMT 2025

PRIMARY

CAS

851034-92-9

Created by admin on Wed Apr 02 00:40:45 GMT 2025 , Edited by admin on Wed Apr 02 00:40:45 GMT 2025

PRIMARY

SCIFINDER

FDA UNII

82G953Z0V1

Created by admin on Wed Apr 02 00:40:45 GMT 2025 , Edited by admin on Wed Apr 02 00:40:45 GMT 2025

PRIMARY

Related Record Type Details


					61YWF5HW20

PARENT -> METABOLITE

Comments:

Isoform AOX1 is expressed in the liver in humans.