N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C24H27N7OS MolecularWeight: 461.58248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)N5CCCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)N5CCCCC5

InChI

InChI=1S/C24H27N7OS/c1-33-24-27-21(30-14-3-2-4-15-30)20-17-26-31(22(20)28-24)16-11-25-23(32)18-7-9-19(10-8-18)29-12-5-6-13-29/h5-10,12-13,17H,2-4,11,14-16H2,1H3,(H,25,32)