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

Systemtic Name: ethyl 4-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-3-29-20(28)8-7-19(27)26-11-9-25(10-12-26)18-13-15(2)23-21(24-18)16-5-4-6-17(22)14-16/h4-6,13-14H,3,7-12H2,1-2H3