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9-[(4-nitrophenyl)methyl]-3H-purin-6-one

9-[(4-nitrophenyl)methyl]-3H-purin-6-one

Systemtic Name:9-[(4-nitrophenyl)methyl]-3H-purin-6-one
Openeye Name:9-[(4-nitrophenyl)methyl]-3H-purin-6-one
CAS Name:9-[(4-nitrophenyl)methyl]-3H-purin-6-one
IUPAC Name:9-[(4-nitrophenyl)methyl]-3H-purin-6-one
Traditional Name:9-(4-nitrobenzyl)-3H-purin-6-one
Formula: C12H9N5O3
MolecularWeight: 271.23156
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)[N+](=O)[O-]


InChI

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)


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