8-azanyl-2-(2-methoxy-5-nitro-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(2-methoxy-5-nitro-phenyl)purin-6-one Openeye Name: 8-amino-2-(2-methoxy-5-nitro-phenyl)purin-6-one CAS Name: 8-amino-2-(2-methoxy-5-nitrophenyl)-6-purinone IUPAC Name: 8-amino-2-(2-methoxy-5-nitrophenyl)purin-6-one Traditional Name: 8-amino-2-(2-methoxy-5-nitro-phenyl)purin-6-one Formula: C12H8N6O4 MolecularWeight: 300.22972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H8N6O4/c1-22-7-3-2-5(18(20)21)4-6(7)9-15-10-8(11(19)16-9)14-12(13)17-10/h2-4H,1H3,(H2,13,15,16,17,19)