N7-[(1-methylpyridin-1-ium-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate

Systemtic Name: N7-[(1-methylpyridin-1-ium-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate Openeye Name: N7-[(1-methylpyridin-1-ium-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate CAS Name: N7-[(1-methyl-2-pyridin-1-iumyl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate IUPAC Name: 7-N-[(1-methylpyridin-1-ium-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-diamine; methyl sulfate Traditional Name: (3-aminopyrazolo[1,5-a]pyrimidin-7-yl)-[(1-methylpyridin-1-ium-2-yl)methyl]amine; methyl sulfate Formula: C14H18N6O4S MolecularWeight: 366.39552

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CNC2=CC=NC3=C(C=NN23)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CNC2=CC=NC3=C(C=NN23)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H15N6.CH4O4S/c1-18-7-3-2-4-10(18)8-16-12-5-6-15-13-11(14)9-17-19(12)13;1-5-6(2,3)4/h2-7,9,16H,8,14H2,1H3;1H3,(H,2,3,4)/q+1;/p-1