ethyl 2-(3,7-dimethyl-2-oxidanylidene-purin-6-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(3,7-dimethyl-2-oxidanylidene-purin-6-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(3,7-dimethyl-2-oxo-purin-6-yl)-3-oxo-butanoate CAS Name: 2-(3,7-dimethyl-2-oxo-6-purinyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-2-oxopurin-6-yl)-3-oxobutanoate Traditional Name: 3-keto-2-(2-keto-3,7-dimethyl-purin-6-yl)butyric acid ethyl ester Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(=O)N(C2=C1N(C=N2)C)C)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1=NC(=O)N(C2=C1N(C=N2)C)C)C(=O)C

InChI

InChI=1S/C13H16N4O4/c1-5-21-12(19)8(7(2)18)9-10-11(14-6-16(10)3)17(4)13(20)15-9/h6,8H,5H2,1-4H3