N4-[(1-methylpiperidin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-[(1-methylpiperidin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(1-methylpiperidin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[(1-methyl-4-piperidin-1-iumyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-[(1-methylpiperidin-1-ium-4-yl)methyl]amine Formula: C12H20N7+ MolecularWeight: 262.3341

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CNC2=NC(=NC3=C2C=NN3)N

Isomeric SMILES

C[NH+]1CCC(CC1)CNC2=NC(=NC3=C2C=NN3)N

InChI

InChI=1S/C12H19N7/c1-19-4-2-8(3-5-19)6-14-10-9-7-15-18-11(9)17-12(13)16-10/h7-8H,2-6H2,1H3,(H4,13,14,15,16,17,18)/p+1