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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoyl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-sulfamoylbenzamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-sulfamoylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-sulfamoyl-benzamide Formula: C21H27N7O3S2 MolecularWeight: 489.61418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N)C(=N1)N4CCCCC4

InChI

InChI=1S/C21H27N7O3S2/c1-2-32-21-25-18(27-11-4-3-5-12-27)17-14-24-28(19(17)26-21)13-10-23-20(29)15-6-8-16(9-7-15)33(22,30)31/h6-9,14H,2-5,10-13H2,1H3,(H,23,29)(H2,22,30,31)