[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)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-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=C(C=CC(=C3)C)C(C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=C(C=CC(=C3)C)C(C)C)CCC

InChI

InChI=1S/C25H34N4O5/c1-6-8-12-29-23-22(24(31)27-25(29)32)28(11-7-2)20(26-23)14-34-21(30)15-33-19-13-17(5)9-10-18(19)16(3)4/h9-10,13,16H,6-8,11-12,14-15H2,1-5H3,(H,27,31,32)