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

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 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-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H20N4O5/c1-24-20-19(21(29)25(2)22(24)30)26(13-23-20)10-9-18(28)31-12-17(27)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3