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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxybenzamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Formula: C27H30N6O2S MolecularWeight: 502.6311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)N5CCCCC5

InChI

InChI=1S/C27H30N6O2S/c1-2-36-27-30-24(32-16-9-4-10-17-32)22-19-29-33(25(22)31-27)18-15-28-26(34)21-13-7-8-14-23(21)35-20-11-5-3-6-12-20/h3,5-8,11-14,19H,2,4,9-10,15-18H2,1H3,(H,28,34)