3-[[6-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol

Systemtic Name: 3-[[6-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[[6-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[[6-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[6-(1,3-benzodioxol-5-ylmethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[[1-methyl-6-(piperonylamino)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC4=C(C=C3)OCO4)NCCCO

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC4=C(C=C3)OCO4)NCCCO

InChI

InChI=1S/C17H20N6O3/c1-23-16-12(9-20-23)15(18-5-2-6-24)21-17(22-16)19-8-11-3-4-13-14(7-11)26-10-25-13/h3-4,7,9,24H,2,5-6,8,10H2,1H3,(H2,18,19,21,22)