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

Systemtic Name: 2-[4-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C18H22N6O/c1-14-3-2-4-15(11-14)24-18-16(12-21-24)17(19-13-20-18)23-7-5-22(6-8-23)9-10-25/h2-4,11-13,25H,5-10H2,1H3/p+1