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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N5O3
Molecular Weight 271.2316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-[(4-Nitrophenyl)methyl]-3H-purin-6-one

SMILES

O=C1N=CNC2=C1N=CN2CC3=CC=C(C=C3)N(=O)=O

InChI

InChIKey=AWOOIVCGPKFRJZ-UHFFFAOYSA-N
InChI=1S/C12H9N5O3/c18-12-10-11(13-6-14-12)16(7-15-10)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14,18)

HIDE SMILES / InChI

Molecular Formula C12H9N5O3
Molecular Weight 271.2316
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 20:02:57 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:57 GMT 2025
Record UNII
VRL56J2JL7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-[(4-Nitrophenyl)methyl]-3H-purin-6-one
Systematic Name English
NSC-211694
Preferred Name English
9H-PURIN-6-OL, 9-(P-NITROBENZYL)-
Common Name English
Hypoxanthine, 9-(p-nitrobenzyl)-
Common Name English
6H-Purin-6-one, 1,9-dihydro-9-[(4-nitrophenyl)methyl]-
Systematic Name English
NSC-87690
Code English
1,9-Dihydro-9-[(4-nitrophenyl)methyl]-6H-purin-6-one
Systematic Name English
Code System Code Type Description
NSC
211694
Created by admin on Tue Apr 01 20:02:57 GMT 2025 , Edited by admin on Tue Apr 01 20:02:57 GMT 2025
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PUBCHEM
96720
Created by admin on Tue Apr 01 20:02:57 GMT 2025 , Edited by admin on Tue Apr 01 20:02:57 GMT 2025
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FDA UNII
VRL56J2JL7
Created by admin on Tue Apr 01 20:02:57 GMT 2025 , Edited by admin on Tue Apr 01 20:02:57 GMT 2025
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CAS
13233-86-8
Created by admin on Tue Apr 01 20:02:57 GMT 2025 , Edited by admin on Tue Apr 01 20:02:57 GMT 2025
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EPA CompTox
DTXSID90157496
Created by admin on Tue Apr 01 20:02:57 GMT 2025 , Edited by admin on Tue Apr 01 20:02:57 GMT 2025
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