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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-methoxyphenoxy)ethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(2-methoxyphenoxy)acetate CAS Name: 2-(2-methoxyphenoxy)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-(2-methoxyphenoxy)acetate Traditional Name: 2-(2-methoxyphenoxy)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3OC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3OC)C

InChI

InChI=1S/C20H24N4O6/c1-4-5-10-24-18-17(19(26)22-20(24)27)23(2)15(21-18)11-30-16(25)12-29-14-9-7-6-8-13(14)28-3/h6-9H,4-5,10-12H2,1-3H3,(H,22,26,27)