3-azanyl-7-[bis(oxidanyl)amino]-2-(4,6-dimethoxypyrimidin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 3-azanyl-7-[bis(oxidanyl)amino]-2-(4,6-dimethoxypyrimidin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 3-amino-7-(dihydroxyamino)-2-(4,6-dimethoxypyrimidin-2-yl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 3-amino-7-(dihydroxyamino)-2-(4,6-dimethoxy-2-pyrimidinyl)-1-oxo-4-isoquinolinecarboxylate IUPAC Name: 3-amino-7-(dihydroxyamino)-2-(4,6-dimethoxypyrimidin-2-yl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 3-amino-7-(dihydroxyamino)-2-(4,6-dimethoxypyrimidin-2-yl)-1-keto-isoquinoline-4-carboxylate Formula: C16H14N5O7- MolecularWeight: 388.31166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)N(O)O)C(=O)[O-])N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)N(O)O)C(=O)[O-])N)OC

InChI

InChI=1S/C16H15N5O7/c1-27-10-6-11(28-2)19-16(18-10)20-13(17)12(15(23)24)8-4-3-7(21(25)26)5-9(8)14(20)22/h3-6,25-26H,17H2,1-2H3,(H,23,24)/p-1