N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C19H23N7OS2 MolecularWeight: 429.56222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C19H23N7OS2/c1-28-19-23-17(25-9-2-3-10-25)15-12-22-26(18(15)24-19)11-8-21-16(27)13-29-14-4-6-20-7-5-14/h4-7,12H,2-3,8-11,13H2,1H3,(H,21,27)