1,3-benzodioxol-5-yl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 1,3-benzodioxol-5-yl ester Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14N4O6/c1-18-14-13(15(22)19(2)16(18)23)20(7-17-14)6-12(21)26-9-3-4-10-11(5-9)25-8-24-10/h3-5,7H,6,8H2,1-2H3