methyl 1-oxidanylidene-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate Openeye Name: methyl 1-oxo-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate CAS Name: 1-oxo-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 1-oxo-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate Traditional Name: 1-keto-3-(trifluoromethyl)-3,5-dihydro-2H-pyrimido[1,6-a]benzimidazole-4-carboxylic acid methyl ester Formula: C13H10F3N3O3 MolecularWeight: 313.23201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2NC3=CC=CC=C3N2C(=O)NC1C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2NC3=CC=CC=C3N2C(=O)NC1C(F)(F)F

InChI

InChI=1S/C13H10F3N3O3/c1-22-11(20)8-9(13(14,15)16)18-12(21)19-7-5-3-2-4-6(7)17-10(8)19/h2-5,9,17H,1H3,(H,18,21)