[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(4-methylphenoxy)butanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(4-methylphenoxy)butanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H32N4O5 MolecularWeight: 456.53468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=C(C=C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=C(C=C3)C)CCC

InChI

InChI=1S/C24H32N4O5/c1-4-6-14-28-22-21(23(30)26-24(28)31)27(13-5-2)19(25-22)16-33-20(29)8-7-15-32-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3,(H,26,30,31)