1-[2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]acetyl]isonipecotamide Formula: C18H27ClN6O2S MolecularWeight: 426.96398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)N)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)N)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-2-23-7-9-24(10-8-23)15-11-14(19)21-18(22-15)28-12-16(26)25-5-3-13(4-6-25)17(20)27/h11,13H,2-10,12H2,1H3,(H2,20,27)