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

Systemtic Name: 3-[1-[4-(2-methylsulfonylphenyl)phenyl]-6-oxidanylidene-purin-7-yl]benzamide Openeye Name: 3-[1-[4-(2-methylsulfonylphenyl)phenyl]-6-oxo-purin-7-yl]benzamide CAS Name: 3-[1-[4-(2-methylsulfonylphenyl)phenyl]-6-oxo-7-purinyl]benzamide IUPAC Name: 3-[1-[4-(2-methylsulfonylphenyl)phenyl]-6-oxopurin-7-yl]benzamide Traditional Name: 3-[6-keto-1-[4-(2-mesylphenyl)phenyl]purin-7-yl]benzamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3C=NC4=C(C3=O)N(C=N4)C5=CC=CC(=C5)C(=O)N

InChI

InChI=1S/C25H19N5O4S/c1-35(33,34)21-8-3-2-7-20(21)16-9-11-18(12-10-16)30-15-28-24-22(25(30)32)29(14-27-24)19-6-4-5-17(13-19)23(26)31/h2-15H,1H3,(H2,26,31)