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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)C(=N1)N5CCOCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)C(=N1)N5CCOCC5

InChI

InChI=1S/C22H25N7O2S/c1-2-32-22-26-19(28-9-11-31-12-10-28)16-14-24-29(20(16)27-22)8-7-23-21(30)18-13-15-5-3-4-6-17(15)25-18/h3-6,13-14,25H,2,7-12H2,1H3,(H,23,30)