1-[4-[6-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]pentan-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]pentan-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]pentan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]pentan-1-one Formula: C22H34ClN5O2S MolecularWeight: 468.05566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN5O2S/c1-4-5-6-20(29)28-12-11-27(14-17(28)3)19-13-18(23)24-22(25-19)31-15-21(30)26-9-7-16(2)8-10-26/h13,16-17H,4-12,14-15H2,1-3H3