3-[1-[4-(2-methylimidazol-1-yl)phenyl]-6-oxidanylidene-purin-7-yl]benzamide

Systemtic Name: 3-[1-[4-(2-methylimidazol-1-yl)phenyl]-6-oxidanylidene-purin-7-yl]benzamide Openeye Name: 3-[1-[4-(2-methylimidazol-1-yl)phenyl]-6-oxo-purin-7-yl]benzamide CAS Name: 3-[1-[4-(2-methyl-1-imidazolyl)phenyl]-6-oxo-7-purinyl]benzamide IUPAC Name: 3-[1-[4-(2-methylimidazol-1-yl)phenyl]-6-oxopurin-7-yl]benzamide Traditional Name: 3-[6-keto-1-[4-(2-methylimidazol-1-yl)phenyl]purin-7-yl]benzamide Formula: C22H17N7O2 MolecularWeight: 411.41608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N

InChI

InChI=1S/C22H17N7O2/c1-14-24-9-10-27(14)16-5-7-17(8-6-16)29-13-26-21-19(22(29)31)28(12-25-21)18-4-2-3-15(11-18)20(23)30/h2-13H,1H3,(H2,23,30)