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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinolinecarboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoline-2-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinaldamide Formula: C22H25N7OS MolecularWeight: 435.5452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4C=C3)SC

InChI

InChI=1S/C22H25N7OS/c1-14(2)12-24-19-16-13-25-29(20(16)28-22(27-19)31-3)11-10-23-21(30)18-9-8-15-6-4-5-7-17(15)26-18/h4-9,13-14H,10-12H2,1-3H3,(H,23,30)(H,24,27,28)