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

Systemtic Name: 1-methyl-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-methyl-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)propyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C20H28N7+ MolecularWeight: 366.48322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCCC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCCC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H27N7/c1-25-20-18(14-24-25)19(22-16-23-20)21-8-5-9-26-10-12-27(13-11-26)15-17-6-3-2-4-7-17/h2-4,6-7,14,16H,5,8-13,15H2,1H3,(H,21,22,23)/p+1