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

Systemtic Name: 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-(1-azepanyl)-1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C26H31N8+ MolecularWeight: 455.57794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H30N8/c1-2-9-15-33(14-8-1)26-29-24(32-18-16-31(17-19-32)23-12-6-7-13-27-23)22-20-28-34(25(22)30-26)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2/p+1