2,4-bis[(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis[(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-benzylsulfanyl-2,6-bis[[2-oxo-2-(1-piperidyl)ethyl]sulfanyl]pyrimidine-5-carbonitrile CAS Name: 2,4-bis[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-benzylsulfanyl-2,6-bis[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(benzylthio)-2,6-bis[(2-keto-2-piperidino-ethyl)thio]pyrimidine-5-carbonitrile Formula: C26H31N5O2S3 MolecularWeight: 541.75164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C26H31N5O2S3/c27-16-21-24(34-17-20-10-4-1-5-11-20)28-26(36-19-23(33)31-14-8-3-9-15-31)29-25(21)35-18-22(32)30-12-6-2-7-13-30/h1,4-5,10-11H,2-3,6-9,12-15,17-19H2