1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]octan-1-one Formula: C24H38ClN5O2S MolecularWeight: 496.10882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C24H38ClN5O2S/c1-3-4-5-6-8-11-22(31)30-15-14-29(17-19(30)2)21-16-20(25)26-24(27-21)33-18-23(32)28-12-9-7-10-13-28/h16,19H,3-15,17-18H2,1-2H3