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

Systemtic Name: ethyl 4-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C24H31FN4O3 MolecularWeight: 442.526343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC(=O)OCC)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CCC(=O)OCC)CC3=CC(=CC=C3)F

InChI

InChI=1S/C24H31FN4O3/c1-4-21-20(16-18-7-6-8-19(25)15-18)24(27-17(3)26-21)29-13-11-28(12-14-29)22(30)9-10-23(31)32-5-2/h6-8,15H,4-5,9-14,16H2,1-3H3