1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3-methyl-butan-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]-3-methyl-butan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]-3-methyl-butan-1-one Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)CC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

InChI

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