2-[1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-5-phenyl-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[1-(4-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-5-phenyl-1H-pyrimidine-4,6-dione Openeye Name: 2-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanyl-5-phenyl-1H-pyrimidine-4,6-dione CAS Name: 2-[[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-5-phenyl-1H-pyrimidine-4,6-dione IUPAC Name: 2-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-5-phenyl-1H-pyrimidine-4,6-dione Traditional Name: 2-[[2,5-diketo-1-(p-tolyl)pyrrolidin-3-yl]thio]-5-phenyl-1H-pyrimidine-4,6-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(=O)C(C(=O)N3)C4=CC=CC=C4

Isomeric SMILES

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

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/h2-10,15,17H,11H2,1H3,(H,22,23,26,27)