8-methyl-3-phenyl-1-[2-(phenylsulfonylmethyl)phenyl]-7H-purine-2,6-dione

Systemtic Name: 8-methyl-3-phenyl-1-[2-(phenylsulfonylmethyl)phenyl]-7H-purine-2,6-dione Openeye Name: 1-[2-(benzenesulfonylmethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione CAS Name: 1-[2-(benzenesulfonylmethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione IUPAC Name: 1-[2-(benzenesulfonylmethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-dione Traditional Name: 1-[2-(besylmethyl)phenyl]-8-methyl-3-phenyl-7H-purine-2,6-quinone Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O4S/c1-17-26-22-23(27-17)28(19-11-4-2-5-12-19)25(31)29(24(22)30)21-15-9-8-10-18(21)16-34(32,33)20-13-6-3-7-14-20/h2-15H,16H2,1H3,(H,26,27)