1-[(4-nitrophenyl)methyl]-7H-purin-6-one

Systemtic Name: 1-[(4-nitrophenyl)methyl]-7H-purin-6-one Openeye Name: 1-[(4-nitrophenyl)methyl]-7H-purin-6-one CAS Name: 1-[(4-nitrophenyl)methyl]-7H-purin-6-one IUPAC Name: 1-[(4-nitrophenyl)methyl]-7H-purin-6-one Traditional Name: 1-(4-nitrobenzyl)-7H-purin-6-one Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)NC=N3)[N+](=O)[O-]

InChI

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