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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H32N4O6 MolecularWeight: 472.53408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC(=C(C=C3)OC)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC(=C(C=C3)OC)OC)CCC

InChI

InChI=1S/C24H32N4O6/c1-5-7-13-28-22-21(23(30)26-24(28)31)27(12-6-2)19(25-22)15-34-20(29)11-9-16-8-10-17(32-3)18(14-16)33-4/h8,10,14H,5-7,9,11-13,15H2,1-4H3,(H,26,30,31)