[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)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-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)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)CC3=C(C=CC(=C3)Cl)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=C(C=CC(=C3)Cl)OC)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)13-32-18(28)12-14-11-15(23)7-8-16(14)31-3/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,25,29,30)