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

Systemtic Name: 1-[4-[6-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]octan-1-one Formula: C25H40ClN5O2S MolecularWeight: 510.1354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

InChI

InChI=1S/C25H40ClN5O2S/c1-4-5-6-7-8-9-23(32)31-15-14-30(17-20(31)3)22-16-21(26)27-25(28-22)34-18-24(33)29-12-10-19(2)11-13-29/h16,19-20H,4-15,17-18H2,1-3H3