2-[5-cyano-6-(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-pyrimidin-4-yl]sulfanylethanamide

Systemtic Name: 2-[5-cyano-6-(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-(6-benzylsulfanyl-5-cyano-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanylacetamide CAS Name: 2-[[5-cyano-6-(phenylmethylthio)-2-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: 2-(6-benzylsulfanyl-5-cyano-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[[6-(benzylthio)-5-cyano-2-pyrrolidino-pyrimidin-4-yl]thio]acetamide Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(C(=N2)SCC(=O)N)C#N)SCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=NC(=C(C(=N2)SCC(=O)N)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS2/c19-10-14-16(25-11-13-6-2-1-3-7-13)21-18(23-8-4-5-9-23)22-17(14)26-12-15(20)24/h1-3,6-7H,4-5,8-9,11-12H2,(H2,20,24)