N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C20H28N7O+ MolecularWeight: 382.48262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H27N7O/c1-25-20-18(14-24-25)19(22-15-23-20)21-8-3-9-26-10-12-27(13-11-26)16-4-6-17(28-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3,(H,21,22,23)/p+1