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

Systemtic Name: 2-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoyloxy]ethyl benzoate Openeye Name: 2-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoyloxy]ethyl benzoate CAS Name: benzoic acid 2-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropoxy]ethyl ester IUPAC Name: 2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyloxy]ethyl benzoate Traditional Name: benzoic acid 2-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoyloxy]ethyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6/c1-21-16-15(17(25)22(2)19(21)27)23(12-20-16)9-8-14(24)28-10-11-29-18(26)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3