1,3-dimethyl-7-[(2-oxidanylidene-1,3-dioxol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-oxidanylidene-1,3-dioxol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(2-oxo-1,3-dioxol-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-oxo-1,3-dioxol-4-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-oxo-1,3-dioxol-4-yl)methyl]purine-2,6-dione Traditional Name: 7-[(2-keto-1,3-dioxol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C11H10N4O5 MolecularWeight: 278.2209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=O)O3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=O)O3

InChI

InChI=1S/C11H10N4O5/c1-13-8-7(9(16)14(2)10(13)17)15(5-12-8)3-6-4-19-11(18)20-6/h4-5H,3H2,1-2H3