methyl (6R)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-(4-fluorophenyl)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(4-fluorophenyl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-(4-fluorophenyl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(4-fluorophenyl)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)OC)O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S/c1-11-17(20(26)29-4)18(12-9-15(27-2)19(25)16(10-12)28-3)23-21(30)24(11)14-7-5-13(22)6-8-14/h5-10,18,25H,1-4H3,(H,23,30)/t18-/m1/s1