4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)-2-piperidin-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)-2-piperidin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 4-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-2-(1-piperidyl)pyrimidine-5-carbonitrile CAS Name: 4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-(phenylmethylthio)-2-(1-piperidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-2-piperidin-1-ylpyrimidine-5-carbonitrile Traditional Name: 4-(benzylthio)-6-[(2-keto-2-pyrrolidino-ethyl)thio]-2-piperidino-pyrimidine-5-carbonitrile Formula: C23H27N5OS2 MolecularWeight: 453.62338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(C(=N2)SCC(=O)N3CCCC3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(C(=N2)SCC(=O)N3CCCC3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS2/c24-15-19-21(30-16-18-9-3-1-4-10-18)25-23(28-13-5-2-6-14-28)26-22(19)31-17-20(29)27-11-7-8-12-27/h1,3-4,9-10H,2,5-8,11-14,16-17H2