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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(4-chloro-2-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-2-methylphenoxy)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-(4-chloro-2-methylphenoxy)acetate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)acetic acid (3-butyl-2,6-diketo-7-propyl-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)COC3=C(C=C(C=C3)Cl)C)CCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O5/c1-4-6-10-27-20-19(21(29)25-22(27)30)26(9-5-2)17(24-20)12-32-18(28)13-31-16-8-7-15(23)11-14(16)3/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,25,29,30)