N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Formula: C23H27N7OS MolecularWeight: 449.57178

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)C(=N1)N5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)C(=N1)N5CCCCC5

InChI

InChI=1S/C23H27N7OS/c1-2-32-23-27-20(29-11-6-3-7-12-29)17-15-25-30(21(17)28-23)13-10-24-22(31)19-14-16-8-4-5-9-18(16)26-19/h4-5,8-9,14-15,26H,2-3,6-7,10-13H2,1H3,(H,24,31)