[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C25H32N4O6 MolecularWeight: 484.54478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O6/c1-4-7-14-29-23-22(24(32)27-25(29)33)28(6-3)20(26-23)16-35-21(31)13-12-19(30)17-8-10-18(11-9-17)34-15-5-2/h8-11H,4-7,12-16H2,1-3H3,(H,27,32,33)