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

Systemtic Name: ethyl 4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25FN2O3S MolecularWeight: 428.519603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)CSC3=CC=C(C=C3)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)CSC3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C23H25FN2O3S/c1-5-29-22(27)20-15(4)25-23(28)26-21(20)19-11-13(2)10-16(14(19)3)12-30-18-8-6-17(24)7-9-18/h6-11,21H,5,12H2,1-4H3,(H2,25,26,28)