2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-benzylsulfanyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-(phenylmethylthio)-4-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-benzylsulfanyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-(benzylthio)-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C25H32N4O2S3 MolecularWeight: 516.74218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)SCC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)SCC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C25H32N4O2S3/c30-23(28-12-6-2-7-13-28)18-33-22-16-21(32-17-20-10-4-1-5-11-20)26-25(27-22)34-19-24(31)29-14-8-3-9-15-29/h1,4-5,10-11,16H,2-3,6-9,12-15,17-19H2