1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-6-(4-methyl-1-piperazin-4-iumyl)-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-6-(4-methylpiperazin-4-ium-1-yl)-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C21H29N8+ MolecularWeight: 393.50856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C)C(=N2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H28N8/c1-25-8-10-29(11-9-25)21-23-19-18(16-22-26(19)2)20(24-21)28-14-12-27(13-15-28)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3/p+1