ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-oxo-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[[2-(trifluoromethyl)-1-benzimidazolyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17F3N4O3 MolecularWeight: 382.33709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2C3=CC=CC=C3N=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2C3=CC=CC=C3N=C2C(F)(F)F

InChI

InChI=1S/C17H17F3N4O3/c1-3-27-14(25)13-9(2)21-16(26)23-11(13)8-24-12-7-5-4-6-10(12)22-15(24)17(18,19)20/h4-7,9H,3,8H2,1-2H3,(H2,21,23,26)/t9-/m0/s1