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

Systemtic Name: methyl (6R)-3-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-chloro-4-fluoro-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-chloro-4-fluorophenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-chloro-4-fluorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-chloro-4-fluoro-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H18ClFN4O2S MolecularWeight: 456.920323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OC

InChI

InChI=1S/C22H18ClFN4O2S/c1-13-19(21(29)30-2)20(14-3-5-15(6-4-14)27-10-9-25-12-27)26-22(31)28(13)16-7-8-18(24)17(23)11-16/h3-12,20H,1-2H3,(H,26,31)/t20-/m1/s1