2-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

Systemtic Name: 2-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Openeye Name: 2-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol CAS Name: 2-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethanol IUPAC Name: 2-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Traditional Name: 2-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Formula: C12H20N7O+ MolecularWeight: 278.3335

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C(=NN3CCO)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C(=NN3CCO)N

InChI

InChI=1S/C12H19N7O/c1-17-2-4-18(5-3-17)11-9-10(13)16-19(6-7-20)12(9)15-8-14-11/h8,20H,2-7H2,1H3,(H2,13,16)/p+1