methyl (6R)-6-[3,4-bis(fluoranyl)phenyl]-3-phenyl-4-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-[3,4-bis(fluoranyl)phenyl]-3-phenyl-4-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3,4-difluorophenyl)-4-isopropyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3,4-difluorophenyl)-3-phenyl-4-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3,4-difluorophenyl)-3-phenyl-4-propan-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3,4-difluorophenyl)-4-isopropyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)F)F)C(=O)OC

Isomeric SMILES

CC(C)C1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)F)F)C(=O)OC

InChI

InChI=1S/C21H20F2N2O2S/c1-12(2)19-17(20(26)27-3)18(13-9-10-15(22)16(23)11-13)24-21(28)25(19)14-7-5-4-6-8-14/h4-12,18H,1-3H3,(H,24,28)/t18-/m1/s1