naphthalen-1-ylmethyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: naphthalen-1-ylmethyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: 1-naphthylmethyl 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid 1-naphthylmethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O4/c1-24-20-19(21(28)25(2)22(24)29)26(14-23-20)12-6-11-18(27)30-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-5,7-10,14H,6,11-13H2,1-2H3