U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13ClN6O2
Molecular Weight 320.734
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8H-PURIN-8-ONE, 2-AMINO-6-CHLORO-7,9-DIHYDRO-9-((4-HYDROXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)-

SMILES

CC1=CN=C(CN2C(O)=NC3=C2N=C(N)N=C3Cl)C(C)=C1O

InChI

InChIKey=VOZVEEVYDNBWRG-UHFFFAOYSA-N
InChI=1S/C13H13ClN6O2/c1-5-3-16-7(6(2)9(5)21)4-20-11-8(17-13(20)22)10(14)18-12(15)19-11/h3H,4H2,1-2H3,(H,16,21)(H,17,22)(H2,15,18,19)

HIDE SMILES / InChI

Molecular Formula C13H13ClN6O2
Molecular Weight 320.734
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 Wed Apr 02 07:34:11 GMT 2025
Edited
by admin
on Wed Apr 02 07:34:11 GMT 2025
Record UNII
DU2H5J3GA7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8H-PURIN-8-ONE, 2-AMINO-6-CHLORO-7,9-DIHYDRO-9-((4-HYDROXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)-
Systematic Name English
BIIB021 METABOLITE M16
Preferred Name English
Code System Code Type Description
CAS
1421595-14-3
Created by admin on Wed Apr 02 07:34:11 GMT 2025 , Edited by admin on Wed Apr 02 07:34:11 GMT 2025
PRIMARY
PUBCHEM
118752993
Created by admin on Wed Apr 02 07:34:11 GMT 2025 , Edited by admin on Wed Apr 02 07:34:11 GMT 2025
PRIMARY
FDA UNII
DU2H5J3GA7
Created by admin on Wed Apr 02 07:34:11 GMT 2025 , Edited by admin on Wed Apr 02 07:34:11 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO