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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-naphthalen-1-ylethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c1-3-5-14-29-23-22(24(31)27-25(29)32)28(13-4-2)20(26-23)16-33-21(30)15-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,3-5,13-16H2,1-2H3,(H,27,31,32)