methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(N1C)C#N)[C@H]2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OC

InChI

InChI=1S/C20H19FN4O2S/c1-11-16(9-15(10-22)24(11)3)18-17(19(26)27-4)12(2)25(20(28)23-18)14-7-5-13(21)6-8-14/h5-9,18H,1-4H3,(H,23,28)/t18-/m0/s1