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

Systemtic Name: 2-[6-azanyl-4-(furan-2-yl)-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]ethanamide Openeye Name: 2-[6-amino-4-(2-furyl)-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide CAS Name: 2-[6-amino-4-(2-furanyl)-1-(3-methoxyphenyl)-1-pyrazolo[3,4-d]pyrimidin-1-iumyl]acetamide IUPAC Name: 2-[6-amino-4-(furan-2-yl)-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Traditional Name: 2-[6-amino-4-(2-furyl)-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-ium-1-yl]acetamide Formula: C18H17N6O3+ MolecularWeight: 365.36598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)[N+]2(C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)CC(=O)N

InChI

InChI=1S/C18H16N6O3/c1-26-12-5-2-4-11(8-12)24(10-15(19)25)17-13(9-21-24)16(22-18(20)23-17)14-6-3-7-27-14/h2-9H,10H2,1H3,(H3-,19,20,21,22,23,25)/p+1