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

Systemtic Name: methyl (6R)-3-(3-fluoranyl-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-fluoro-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-fluoro-4-methylphenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-fluoro-4-methylphenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-fluoro-4-methyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C([C@H](NC2=S)C3=CC=C(C=C3)N4C=CN=C4)C(=O)OC)C)F

InChI

InChI=1S/C23H21FN4O2S/c1-14-4-7-18(12-19(14)24)28-15(2)20(22(29)30-3)21(26-23(28)31)16-5-8-17(9-6-16)27-11-10-25-13-27/h4-13,21H,1-3H3,(H,26,31)/t21-/m1/s1