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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(2,4-dimethylphenoxy)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(2,4-dimethylphenoxy)propanoate CAS Name: 3-(2,4-dimethylphenoxy)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 3-(2,4-dimethylphenoxy)propanoate Traditional Name: 3-(2,4-dimethylphenoxy)propionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H32N4O5 MolecularWeight: 456.53468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCOC3=C(C=C(C=C3)C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCOC3=C(C=C(C=C3)C)C)CCC

InChI

InChI=1S/C24H32N4O5/c1-5-7-12-28-22-21(23(30)26-24(28)31)27(11-6-2)19(25-22)15-33-20(29)10-13-32-18-9-8-16(3)14-17(18)4/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,26,30,31)