methyl (6S)-6-[2,4-bis(fluoranyl)phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-[2,4-bis(fluoranyl)phenyl]-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2,4-difluorophenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,4-difluorophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2,4-difluorophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,4-difluorophenyl)-3-phenyl-4-propyl-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:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=C(C=C3)F)F)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=C(C=C(C=C3)F)F)C(=O)OC

InChI

InChI=1S/C21H20F2N2O2S/c1-3-7-17-18(20(26)27-2)19(15-11-10-13(22)12-16(15)23)24-21(28)25(17)14-8-5-4-6-9-14/h4-6,8-12,19H,3,7H2,1-2H3,(H,24,28)/t19-/m1/s1