[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-naphthalen-1-ylethanoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-naphthalen-1-ylethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H24N4O4/c1-3-4-12-27-21-20(22(29)25-23(27)30)26(2)18(24-21)14-31-19(28)13-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,3-4,12-14H2,1-2H3,(H,25,29,30)