6-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N-(4-methoxyphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C24H28N7O+ MolecularWeight: 430.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C24H27N7O/c1-3-29-13-15-30(16-14-29)24-27-22(26-18-9-11-20(32-2)12-10-18)21-17-25-31(23(21)28-24)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,26,27,28)/p+1