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

Systemtic Name: 2-[3-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Openeye Name: 2-[3-amino-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol CAS Name: 2-[3-amino-4-(4-ethyl-1-piperazin-4-iumyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethanol IUPAC Name: 2-[3-amino-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Traditional Name: 2-[3-amino-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol Formula: C13H22N7O+ MolecularWeight: 292.36008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N7O/c1-2-18-3-5-19(6-4-18)12-10-11(14)17-20(7-8-21)13(10)16-9-15-12/h9,21H,2-8H2,1H3,(H2,14,17)/p+1