2-azanyl-9-[2-oxidanylidene-2-(2-phenylimidazol-1-yl)ethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-oxidanylidene-2-(2-phenylimidazol-1-yl)ethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-oxo-2-(2-phenylimidazol-1-yl)ethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-oxo-2-(2-phenyl-1-imidazolyl)ethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-oxo-2-(2-phenylimidazol-1-yl)ethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-keto-2-(2-phenylimidazol-1-yl)ethyl]-3H-purin-6-one Formula: C16H13N7O2 MolecularWeight: 335.32012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2C(=O)CN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2C(=O)CN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C16H13N7O2/c17-16-20-14-12(15(25)21-16)19-9-22(14)8-11(24)23-7-6-18-13(23)10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,17,20,21,25)