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

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-pyrimidine-5-carbonitrile Openeye Name: 4-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-2-pyrrolidin-1-yl-pyrimidine-5-carbonitrile CAS Name: 4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-(phenylmethylthio)-2-(1-pyrrolidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-benzylsulfanyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile Traditional Name: 4-(benzylthio)-6-[(2-keto-2-pyrrolidino-ethyl)thio]-2-pyrrolidino-pyrimidine-5-carbonitrile Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(C(=N2)SCC(=O)N3CCCC3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=C(C(=N2)SCC(=O)N3CCCC3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS2/c23-14-18-20(29-15-17-8-2-1-3-9-17)24-22(27-12-6-7-13-27)25-21(18)30-16-19(28)26-10-4-5-11-26/h1-3,8-9H,4-7,10-13,15-16H2