[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(4-allyl-2-methoxy-phenoxy)acetate CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)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-(2-methoxy-4-prop-2-enylphenoxy)acetate Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O6/c1-5-8-13-29-23-22(24(31)27-25(29)32)28(12-7-3)20(26-23)15-35-21(30)16-34-18-11-10-17(9-6-2)14-19(18)33-4/h6,10-11,14H,2,5,7-9,12-13,15-16H2,1,3-4H3,(H,27,31,32)