1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]hexan-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]hexan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]hexan-1-one Formula: C22H34ClN5O2S MolecularWeight: 468.05566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN5O2S/c1-3-4-6-9-20(29)28-13-12-27(15-17(28)2)19-14-18(23)24-22(25-19)31-16-21(30)26-10-7-5-8-11-26/h14,17H,3-13,15-16H2,1-2H3