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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C25H31N9+2 MolecularWeight: 457.57394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C25H29N9/c1-30-11-13-33(14-12-30)25-28-23(32-17-15-31(16-18-32)22-9-5-6-10-26-22)21-19-27-34(24(21)29-25)20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3/p+2