methyl 6-oxidanylidene-6-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]hexanoate

Systemtic Name: methyl 6-oxidanylidene-6-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]hexanoate Openeye Name: methyl 6-oxo-6-[4-[4-(2-thienyl)pyrimidin-2-yl]piperazin-1-yl]hexanoate CAS Name: 6-oxo-6-[4-(4-thiophen-2-yl-2-pyrimidinyl)-1-piperazinyl]hexanoic acid methyl ester IUPAC Name: methyl 6-oxo-6-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]hexanoate Traditional Name: 6-keto-6-[4-[4-(2-thienyl)pyrimidin-2-yl]piperazino]hexanoic acid methyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)CCCCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C19H24N4O3S/c1-26-18(25)7-3-2-6-17(24)22-10-12-23(13-11-22)19-20-9-8-15(21-19)16-5-4-14-27-16/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3