1-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C17H20N6/c1-21-16-15(11-20-21)17(19-13-18-16)23-9-7-22(8-10-23)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3/p+1