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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N-(3-methoxyphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-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]-(3-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(=CC=C5)OC

Isomeric SMILES

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

InChI

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