2-bromanyl-N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-methoxy-benzamide Formula: C22H27BrN6O2S MolecularWeight: 519.45778

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)C(=N1)N4CCCCC4

InChI

InChI=1S/C22H27BrN6O2S/c1-3-32-22-26-19(28-10-5-4-6-11-28)17-14-25-29(20(17)27-22)12-9-24-21(30)16-13-15(31-2)7-8-18(16)23/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,24,30)