2-[6-azanyl-4-(furan-2-yl)-1-pyridin-2-yl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[6-azanyl-4-(furan-2-yl)-1-pyridin-2-yl-pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide Openeye Name: 2-[6-amino-4-(2-furyl)-1-(2-pyridyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide CAS Name: 2-[6-amino-4-(2-furanyl)-1-(2-pyridinyl)-1-pyrazolo[3,4-d]pyrimidin-1-iumyl]acetamide IUPAC Name: 2-[6-amino-4-(furan-2-yl)-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Traditional Name: 2-[6-amino-4-(2-furyl)-1-(2-pyridyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Formula: C16H14N7O2+ MolecularWeight: 336.32806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

Isomeric SMILES

C1=CC=NC(=C1)[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

InChI

InChI=1S/C16H13N7O2/c17-12(24)9-23(13-5-1-2-6-19-13)15-10(8-20-23)14(21-16(18)22-15)11-4-3-7-25-11/h1-8H,9H2,(H3-,17,18,20,21,22,24)/p+1