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

Systemtic Name: 2-[5-cyano-6-(phenylmethylsulfanyl)-2-piperidin-1-yl-pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[6-benzylsulfanyl-5-cyano-2-(1-piperidyl)pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[5-cyano-6-(phenylmethylthio)-2-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: 2-(6-benzylsulfanyl-5-cyano-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[[6-(benzylthio)-5-cyano-2-piperidino-pyrimidin-4-yl]thio]acetamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(C(=N2)SCC(=O)N)C#N)SCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(C(=N2)SCC(=O)N)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H21N5OS2/c20-11-15-17(26-12-14-7-3-1-4-8-14)22-19(24-9-5-2-6-10-24)23-18(15)27-13-16(21)25/h1,3-4,7-8H,2,5-6,9-10,12-13H2,(H2,21,25)