methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-chloro-4-fluoro-phenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-fluorophenyl)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18ClFN4O2S MolecularWeight: 432.898923

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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)Cl)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN4O2S/c1-10-14(7-13(9-23)25(10)3)18-17(19(27)28-4)11(2)26(20(29)24-18)12-5-6-16(22)15(21)8-12/h5-8,18H,1-4H3,(H,24,29)