N-[2-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]ethyl]benzamide Formula: C21H25N7O2S MolecularWeight: 439.5339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O2S/c1-31-21-25-18(27-10-5-6-11-27)16-13-24-28(19(16)26-21)12-9-22-17(29)14-23-20(30)15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,22,29)(H,23,30)