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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(2-ethoxyphenoxy)butanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)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-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=CC=C3OCC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCOC3=CC=CC=C3OCC)CCC

InChI

InChI=1S/C25H34N4O6/c1-4-7-15-29-23-22(24(31)27-25(29)32)28(14-5-2)20(26-23)17-35-21(30)13-10-16-34-19-12-9-8-11-18(19)33-6-3/h8-9,11-12H,4-7,10,13-17H2,1-3H3,(H,27,31,32)