5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: 5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: 5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-pyrimidine-2,4-diolate CAS Name: 5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxopyrimidine-2,4-diolate IUPAC Name: 5-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxopyrimidine-2,4-diolate Traditional Name: 5-butyl-3-homoveratryl-6-keto-pyrimidine-2,4-diolate Formula: C18H22N2O5-2 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)[O-])CCC2=CC(=C(C=C2)OC)OC)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)[O-])CCC2=CC(=C(C=C2)OC)OC)[O-]

InChI

InChI=1S/C18H24N2O5/c1-4-5-6-13-16(21)19-18(23)20(17(13)22)10-9-12-7-8-14(24-2)15(11-12)25-3/h7-8,11,22H,4-6,9-10H2,1-3H3,(H,19,21,23)/p-2