1-(4-methylphenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Systemtic Name: 1-(4-methylphenyl)-3-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione Openeye Name: 3-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: 3-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-(4-methylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O

InChI

InChI=1S/C21H17N3O4S/c1-12-7-9-14(10-8-12)24-16(25)11-15(20(24)28)29-21-22-18(26)17(19(27)23-21)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,22,23,26,27)