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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(1-methylindol-3-yl)ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(1-methylindol-3-yl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(1-methyl-3-indolyl)acetamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(1-methylindol-3-yl)acetamide Formula: C25H31N7OS MolecularWeight: 477.62494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CC3=CN(C4=CC=CC=C43)C)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CC3=CN(C4=CC=CC=C43)C)C(=N1)N5CCCCC5

InChI

InChI=1S/C25H31N7OS/c1-3-34-25-28-23(31-12-7-4-8-13-31)20-16-27-32(24(20)29-25)14-11-26-22(33)15-18-17-30(2)21-10-6-5-9-19(18)21/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,26,33)