3-[(4-nitrophenyl)methyl]-7H-purin-6-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-7H-purin-6-one Openeye Name: 3-[(4-nitrophenyl)methyl]-7H-purin-6-one CAS Name: 3-[(4-nitrophenyl)methyl]-7H-purin-6-one IUPAC Name: 3-[(4-nitrophenyl)methyl]-7H-purin-6-one Traditional Name: 3-(4-nitrobenzyl)-7H-purin-6-one Formula: C12H9N5O3 MolecularWeight: 271.23156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=O)C3=C2N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=O)C3=C2N=CN3)[N+](=O)[O-]

InChI

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