2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidine-4,6-dione Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1H-pyrimidine-4,6-dione CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1H-pyrimidine-4,6-dione IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidine-4,6-dione Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-1H-pyrimidine-4,6-quinone Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)CC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)CC(=O)N2

InChI

InChI=1S/C13H12N2O3S/c1-8-2-4-9(5-3-8)10(16)7-19-13-14-11(17)6-12(18)15-13/h2-5H,6-7H2,1H3,(H,14,15,17,18)