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

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O3S/c1-4-28-21(26)19-18(12-29-16-9-7-15(23)8-10-16)24-22(27)25-20(19)17-11-13(2)5-6-14(17)3/h5-11,20H,4,12H2,1-3H3,(H2,24,25,27)