ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H18N2O2S.C2HF3O2/c1-4-19-14(18)12-10(2)16-15(20-3)17-13(12)11-8-6-5-7-9-11;3-2(4,5)1(6)7/h5-9,13H,4H2,1-3H3,(H,16,17);(H,6,7)