N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1H-pyrazolo[3,4-d]pyrimidin-4-yl-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]amine Formula: C15H18N7+ MolecularWeight: 296.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C15H17N7/c1-2-6-22(5-1)13-7-11(3-4-16-13)8-17-14-12-9-20-21-15(12)19-10-18-14/h3-4,7,9-10H,1-2,5-6,8H2,(H2,17,18,19,20,21)/p+1