methyl (6R)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-chloro-4-fluorophenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-chloro-4-fluoro-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H16ClFN4O2S MolecularWeight: 394.850943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CN(N=C3)C)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CN(N=C3)C)C(=O)OC

InChI

InChI=1S/C17H16ClFN4O2S/c1-9-14(16(24)25-3)15(10-7-20-22(2)8-10)21-17(26)23(9)11-4-5-13(19)12(18)6-11/h4-8,15H,1-3H3,(H,21,26)/t15-/m1/s1