2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]ethyl benzoate

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]ethyl benzoate Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]oxyethyl benzoate CAS Name: benzoic acid 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethoxy]ethyl ester IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxyethyl benzoate Traditional Name: benzoic acid 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]oxyethyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O6/c1-20-15-14(16(24)21(2)18(20)26)22(11-19-15)10-13(23)27-8-9-28-17(25)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3