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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7OS/c1-4-31-22-27-19(24-12-14(2)3)16-13-25-29(20(16)28-22)10-9-23-21(30)18-11-15-7-5-6-8-17(15)26-18/h5-8,11,13-14,26H,4,9-10,12H2,1-3H3,(H,23,30)(H,24,27,28)