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

Systemtic Name: 2-azanyl-7-[(4-nitrophenyl)methyl]-3H-purin-6-one Openeye Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one CAS Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one Traditional Name: 2-amino-7-(4-nitrobenzyl)-3H-purin-6-one Formula: C12H10N6O3 MolecularWeight: 286.2462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O3/c13-12-15-10-9(11(19)16-12)17(6-14-10)5-7-1-3-8(4-2-7)18(20)21/h1-4,6H,5H2,(H3,13,15,16,19)