ethyl 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C23H29FN4O3 MolecularWeight: 428.499763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CCC(=O)OCC)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CCC(=O)OCC)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C23H29FN4O3/c1-4-19-16(3)25-22(17-7-6-8-18(24)15-17)26-23(19)28-13-11-27(12-14-28)20(29)9-10-21(30)31-5-2/h6-8,15H,4-5,9-14H2,1-3H3