[1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]diazane

Systemtic Name: [1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]diazane Openeye Name: [1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]hydrazine CAS Name: [1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-pyrazolo[3,4-d]pyrimidinyl]hydrazine IUPAC Name: [1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-yl]hydrazine Traditional Name: [1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidin-6-yl]hydrazine Formula: C20H22N9+ MolecularWeight: 388.44898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NN

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NN

InChI

InChI=1S/C20H21N9/c21-26-20-24-18(28-12-10-27(11-13-28)17-8-4-5-9-22-17)16-14-23-29(19(16)25-20)15-6-2-1-3-7-15/h1-9,14H,10-13,21H2,(H,24,25,26)/p+1