2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C18H28ClN5OS MolecularWeight: 397.96582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C18H28ClN5OS/c1-3-22-8-10-24(11-9-22)17(25)13-26-18-20-15(19)12-16(21-18)23-6-4-14(2)5-7-23/h12,14H,3-11,13H2,1-2H3