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

Systemtic Name: naphthalen-1-ylmethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 1-naphthylmethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 1-naphthylmethyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4/c1-22-18-17(19(26)23(2)20(22)27)24(12-21-18)10-16(25)28-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3