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

Systemtic Name: 3-[1-[2-fluoranyl-4-(2-methylimidazol-1-yl)phenyl]-6-oxidanylidene-purin-7-yl]benzamide Openeye Name: 3-[1-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]-6-oxo-purin-7-yl]benzamide CAS Name: 3-[1-[2-fluoro-4-(2-methyl-1-imidazolyl)phenyl]-6-oxo-7-purinyl]benzamide IUPAC Name: 3-[1-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]-6-oxopurin-7-yl]benzamide Traditional Name: 3-[1-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]-6-keto-purin-7-yl]benzamide Formula: C22H16FN7O2 MolecularWeight: 429.406543

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN7O2/c1-13-25-7-8-28(13)16-5-6-18(17(23)10-16)30-12-27-21-19(22(30)32)29(11-26-21)15-4-2-3-14(9-15)20(24)31/h2-12H,1H3,(H2,24,31)