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

Systemtic Name: 2-azanyl-9-[3-oxidanylidene-3-(2-phenylimidazol-1-yl)propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-oxo-3-(2-phenylimidazol-1-yl)propyl]-3H-purin-6-one CAS Name: 2-amino-9-[3-oxo-3-(2-phenyl-1-imidazolyl)propyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-oxo-3-(2-phenylimidazol-1-yl)propyl]-3H-purin-6-one Traditional Name: 2-amino-9-[3-keto-3-(2-phenylimidazol-1-yl)propyl]-3H-purin-6-one Formula: C17H15N7O2 MolecularWeight: 349.3467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2C(=O)CCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2C(=O)CCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C17H15N7O2/c18-17-21-15-13(16(26)22-17)20-10-23(15)8-6-12(25)24-9-7-19-14(24)11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H3,18,21,22,26)