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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)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-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=COC4=C3C=CC(=C4)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=COC4=C3C=CC(=C4)C)CCC

InChI

InChI=1S/C24H28N4O5/c1-4-6-10-28-22-21(23(30)26-24(28)31)27(9-5-2)19(25-22)14-33-20(29)12-16-13-32-18-11-15(3)7-8-17(16)18/h7-8,11,13H,4-6,9-10,12,14H2,1-3H3,(H,26,30,31)