ethyl 2-[2-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-[2-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]-3-oxo-hexanoate CAS Name: 2-[2-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]ethyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]-3-oxohexanoate Traditional Name: 2-[2-[4-(5-fluoropyrimidin-2-yl)piperazino]ethyl]-3-keto-hexanoic acid ethyl ester Formula: C18H27FN4O3 MolecularWeight: 366.430383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CCN1CCN(CC1)C2=NC=C(C=N2)F)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CCN1CCN(CC1)C2=NC=C(C=N2)F)C(=O)OCC

InChI

InChI=1S/C18H27FN4O3/c1-3-5-16(24)15(17(25)26-4-2)6-7-22-8-10-23(11-9-22)18-20-12-14(19)13-21-18/h12-13,15H,3-11H2,1-2H3