1-(phenylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(phenylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(phenylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C21H22N7+ MolecularWeight: 372.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C21H21N7/c1-2-6-17(7-3-1)15-28-21-18(14-25-28)20(23-16-24-21)27-12-10-26(11-13-27)19-8-4-5-9-22-19/h1-9,14,16H,10-13,15H2/p+1