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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-2-carboxamide Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)SC

InChI

InChI=1S/C21H25N7OS/c1-13(2)11-23-18-15-12-24-28(19(15)27-21(26-18)30-3)9-8-22-20(29)17-10-14-6-4-5-7-16(14)25-17/h4-7,10,12-13,25H,8-9,11H2,1-3H3,(H,22,29)(H,23,26,27)