3-azanyl-4-cyano-2-(4,6-dimethoxypyrimidin-2-yl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-4-cyano-2-(4,6-dimethoxypyrimidin-2-yl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-4-cyano-2-(4,6-dimethoxypyrimidin-2-yl)-N-hydroxy-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-4-cyano-2-(4,6-dimethoxy-2-pyrimidinyl)-N-hydroxy-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-4-cyano-2-(4,6-dimethoxypyrimidin-2-yl)-N-hydroxy-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-4-cyano-2-(4,6-dimethoxypyrimidin-2-yl)-N-hydroxy-1-keto-isoquinolin-7-amine oxide Formula: C16H14N6O5 MolecularWeight: 370.31956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O5/c1-26-12-6-13(27-2)20-16(19-12)21-14(18)11(7-17)9-4-3-8(22(24)25)5-10(9)15(21)23/h3-6,22,24H,18H2,1-2H3