methyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-(p-tolylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[[(4-methylphenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-6-[(4-methylphenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-keto-6-[(p-tolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C(NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C(NC(=O)N2)C3=C(C=CC(=C3)C)C)C(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-13-6-9-16(10-7-13)28-12-18-19(21(25)27-4)20(24-22(26)23-18)17-11-14(2)5-8-15(17)3/h5-11,20H,12H2,1-4H3,(H2,23,24,26)