methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-2-keto-6-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19F3N4O3S MolecularWeight: 464.46077

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CSC4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2)C3CC3)CSC4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O3S/c1-31-18(29)16-14(11-32-19-25-10-9-15(26-19)21(22,23)24)28(13-7-8-13)20(30)27-17(16)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,11H2,1H3,(H,27,30)/t17-/m0/s1