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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-naphthamide Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4C=C3)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4C=C3)SC

InChI

InChI=1S/C23H26N6OS/c1-15(2)13-25-20-19-14-26-29(21(19)28-23(27-20)31-3)11-10-24-22(30)18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,24,30)(H,25,27,28)