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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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