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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=C(O)C(C)=C(CN2C(O)=NC3=C(Cl)N=C(N)N=C23)N=C1

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 Thu Jul 06 21:47:02 UTC 2023
Edited
by admin
on Thu Jul 06 21:47:02 UTC 2023
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
Common Name English
Code System Code Type Description
CAS
1421595-14-3
Created by admin on Thu Jul 06 21:47:02 UTC 2023 , Edited by admin on Thu Jul 06 21:47:02 UTC 2023
PRIMARY
PUBCHEM
118752993
Created by admin on Thu Jul 06 21:47:02 UTC 2023 , Edited by admin on Thu Jul 06 21:47:02 UTC 2023
PRIMARY
FDA UNII
DU2H5J3GA7
Created by admin on Thu Jul 06 21:47:02 UTC 2023 , Edited by admin on Thu Jul 06 21:47:02 UTC 2023
PRIMARY
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