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

Systemtic Name: 6-chloranyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C20H19ClN7+ MolecularWeight: 392.86476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN7/c21-20-24-18(27-12-10-26(11-13-27)17-8-4-5-9-22-17)16-14-23-28(19(16)25-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2/p+1