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

Systemtic Name: methyl 4-(2,4-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2,4-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSC3=CC=C(C=C3)F)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSC3=CC=C(C=C3)F)C(=O)OC)C

InChI

InChI=1S/C21H21FN2O3S/c1-12-4-9-16(13(2)10-12)19-18(20(25)27-3)17(23-21(26)24-19)11-28-15-7-5-14(22)6-8-15/h4-10,19H,11H2,1-3H3,(H2,23,24,26)