[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic 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-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H27ClN4O5 MolecularWeight: 462.92658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)OC3=C(C=C(C=C3)Cl)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)OC3=C(C=C(C=C3)Cl)C)CC

InChI

InChI=1S/C22H27ClN4O5/c1-5-7-10-27-19-18(20(28)25-22(27)30)26(6-2)17(24-19)12-31-21(29)14(4)32-16-9-8-15(23)11-13(16)3/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,25,28,30)