ethyl 4-oxidanylidene-4-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]butanoate Openeye Name: ethyl 4-oxo-4-[4-[4-(2-thienyl)pyrimidin-2-yl]piperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(4-thiophen-2-yl-2-pyrimidinyl)-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]butanoate Traditional Name: 4-keto-4-[4-[4-(2-thienyl)pyrimidin-2-yl]piperazino]butyric acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S/c1-2-25-17(24)6-5-16(23)21-9-11-22(12-10-21)18-19-8-7-14(20-18)15-4-3-13-26-15/h3-4,7-8,13H,2,5-6,9-12H2,1H3