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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic 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-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H29ClN4O5 MolecularWeight: 476.95316

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN4O5/c1-5-7-11-28-20-19(21(29)26-23(28)31)27(10-6-2)18(25-20)13-32-22(30)15(4)33-17-9-8-16(24)12-14(17)3/h8-9,12,15H,5-7,10-11,13H2,1-4H3,(H,26,29,31)