dibenzofuran-2-yl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: dibenzofuran-2-yl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: dibenzofuran-2-yl 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid dibenzofuran-2-yl ester Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C22H18N4O5/c1-24-20-19(21(28)25(2)22(24)29)26(12-23-20)10-9-18(27)30-13-7-8-17-15(11-13)14-5-3-4-6-16(14)31-17/h3-8,11-12H,9-10H2,1-2H3