6-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-4-oxidanylidene-pyrimidin-2-olate

Systemtic Name: 6-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-4-oxidanylidene-pyrimidin-2-olate Openeye Name: 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-4-oxo-pyrimidin-2-olate CAS Name: 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-4-oxo-2-pyrimidinolate IUPAC Name: 6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-4-oxopyrimidin-2-olate Traditional Name: 6-amino-1-homoveratryl-4-keto-5-nitroso-pyrimidin-2-olate Formula: C14H15N4O5- MolecularWeight: 319.2927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C(=O)N=C2[O-])N=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C(=O)N=C2[O-])N=O)N)OC

InChI

InChI=1S/C14H16N4O5/c1-22-9-4-3-8(7-10(9)23-2)5-6-18-12(15)11(17-21)13(19)16-14(18)20/h3-4,7H,5-6,15H2,1-2H3,(H,16,19,20)/p-1