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

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-2-oxo-4-(1-piperazinylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-(piperazinomethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H25F3N4O3 MolecularWeight: 426.43271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C(F)(F)F)C)CN3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C(F)(F)F)C)CN3CCNCC3

InChI

InChI=1S/C20H25F3N4O3/c1-3-30-18(28)16-15(12-27-10-8-24-9-11-27)26(2)19(29)25-17(16)13-6-4-5-7-14(13)20(21,22)23/h4-7,17,24H,3,8-12H2,1-2H3,(H,25,29)