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

Systemtic Name: 2-[6-azanyl-4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide Openeye Name: 2-[6-amino-4-(2-furyl)-1-(2-furylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide CAS Name: 2-[6-amino-4-(2-furanyl)-1-(2-furanylmethyl)-1-pyrazolo[3,4-d]pyrimidin-1-iumyl]acetamide IUPAC Name: 2-[6-amino-4-(furan-2-yl)-1-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Traditional Name: 2-[6-amino-1-(2-furfuryl)-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Formula: C16H15N6O3+ MolecularWeight: 339.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3/c17-13(23)9-22(8-10-3-1-5-24-10)15-11(7-19-22)14(20-16(18)21-15)12-4-2-6-25-12/h1-7H,8-9H2,(H3-,17,18,19,20,21,23)/p+1