N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C13H16N7+ MolecularWeight: 270.31304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCCNC3=CC=CC=[NH+]3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCCNC3=CC=CC=[NH+]3

InChI

InChI=1S/C13H15N7/c1-20-13-10(8-19-20)12(17-9-18-13)16-7-6-15-11-4-2-3-5-14-11/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17,18)/p+1