N7-[(1-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine

Systemtic Name: N7-[(1-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine Openeye Name: N7-[(1-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine CAS Name: N7-[(1-methyl-3-pyridin-1-iumyl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine IUPAC Name: 7-N-[(1-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine Traditional Name: (3-aminopyrazolo[1,5-a]pyrimidin-7-yl)-[(1-methylpyridin-1-ium-3-yl)methyl]amine Formula: C13H15N6+ MolecularWeight: 255.2984

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CNC2=CC=NC3=C(C=NN23)N

Isomeric SMILES

C[N+]1=CC=CC(=C1)CNC2=CC=NC3=C(C=NN23)N

InChI

InChI=1S/C13H15N6/c1-18-6-2-3-10(9-18)7-16-12-4-5-15-13-11(14)8-17-19(12)13/h2-6,8-9,16H,7,14H2,1H3/q+1