ethyl 3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-(1-piperazinylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-(piperazinomethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H27F3N4O3 MolecularWeight: 440.45929

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CN3CCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CN3CCNCC3

InChI

InChI=1S/C21H27F3N4O3/c1-3-28-16(13-27-11-9-25-10-12-27)17(19(29)31-4-2)18(26-20(28)30)14-7-5-6-8-15(14)21(22,23)24/h5-8,18,25H,3-4,9-13H2,1-2H3,(H,26,30)