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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2,6-dimethylphenoxy)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(2,6-dimethylphenoxy)acetate CAS Name: 2-(2,6-dimethylphenoxy)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(2,6-dimethylphenoxy)acetate Traditional Name: 2-(2,6-dimethylphenoxy)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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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=C3C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=C(C=CC=C3C)C)CC

InChI

InChI=1S/C22H28N4O5/c1-5-7-11-26-20-18(21(28)24-22(26)29)25(6-2)16(23-20)12-30-17(27)13-31-19-14(3)9-8-10-15(19)4/h8-10H,5-7,11-13H2,1-4H3,(H,24,28,29)