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

Systemtic Name: ethyl 2-azanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: ethyl 2-amino-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: ethyl 2-amino-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester; 2,2,2-trifluoroacetic acid Formula: C16H18F3N3O4 MolecularWeight: 373.32703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2.C2HF3O2/c1-3-19-13(18)11-9(2)16-14(15)17-12(11)10-7-5-4-6-8-10;3-2(4,5)1(6)7/h4-8,12H,3H2,1-2H3,(H3,15,16,17);(H,6,7)