5-[6-azanyl-8-(3-nitrophenyl)purin-9-yl]-1-methyl-pyridin-2-one

Systemtic Name: 5-[6-azanyl-8-(3-nitrophenyl)purin-9-yl]-1-methyl-pyridin-2-one Openeye Name: 5-[6-amino-8-(3-nitrophenyl)purin-9-yl]-1-methyl-pyridin-2-one CAS Name: 5-[6-amino-8-(3-nitrophenyl)-9-purinyl]-1-methyl-2-pyridinone IUPAC Name: 5-[6-amino-8-(3-nitrophenyl)purin-9-yl]-1-methylpyridin-2-one Traditional Name: 5-[6-amino-8-(3-nitrophenyl)purin-9-yl]-1-methyl-2-pyridone Formula: C17H13N7O3 MolecularWeight: 363.33022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=CC1=O)N2C3=C(C(=NC=N3)N)N=C2C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O3/c1-22-8-12(5-6-13(22)25)23-16(10-3-2-4-11(7-10)24(26)27)21-14-15(18)19-9-20-17(14)23/h2-9H,1H3,(H2,18,19,20)