1-[4-[6-chloranyl-2-[2-(4-ethylpiperazin-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-ethylpiperazin-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-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]octan-1-one Formula: C25H41ClN6O2S MolecularWeight: 525.15004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41ClN6O2S/c1-4-6-7-8-9-10-23(33)32-16-15-31(18-20(32)3)22-17-21(26)27-25(28-22)35-19-24(34)30-13-11-29(5-2)12-14-30/h17,20H,4-16,18-19H2,1-3H3