1-[4-[6-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-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]butan-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]butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]butan-1-one Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN5O2S/c1-4-5-19(28)27-11-10-26(13-16(27)3)18-12-17(22)23-21(24-18)30-14-20(29)25-8-6-15(2)7-9-25/h12,15-16H,4-11,13-14H2,1-3H3