1-[4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-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-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-2-methyl-piperazino]octan-1-one Formula: C25H39ClN6O3S MolecularWeight: 539.13356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C25H39ClN6O3S/c1-4-5-6-7-8-9-23(34)32-15-14-31(17-19(32)2)22-16-21(26)27-25(28-22)36-18-24(35)30-12-10-29(11-13-30)20(3)33/h16,19H,4-15,17-18H2,1-3H3