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

Systemtic Name: methyl (6R)-3-(3-bromophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(3-bromophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-bromophenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(3-bromophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-bromophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O2S/c1-14-19(21(28)29-2)20(15-6-8-17(9-7-15)26-11-10-24-13-26)25-22(30)27(14)18-5-3-4-16(23)12-18/h3-13,20H,1-2H3,(H,25,30)/t20-/m1/s1