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

Systemtic Name: methyl 4-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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