2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Formula: C17H21N6O+ MolecularWeight: 325.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H20N6O/c24-11-10-21-6-8-22(9-7-21)16-15-12-20-23(17(15)19-13-18-16)14-4-2-1-3-5-14/h1-5,12-13,24H,6-11H2/p+1