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

Systemtic Name: ethyl (6S)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(1-methyl-4-pyrazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-fluoro-4-methylphenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(1-methylpyrazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H21FN4O2S MolecularWeight: 388.459043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CN(N=C2)C)C3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CN(N=C2)C)C3=CC(=C(C=C3)C)F)C

InChI

InChI=1S/C19H21FN4O2S/c1-5-26-18(25)16-12(3)24(14-7-6-11(2)15(20)8-14)19(27)22-17(16)13-9-21-23(4)10-13/h6-10,17H,5H2,1-4H3,(H,22,27)/t17-/m0/s1