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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-(4-methoxyphenoxy)propanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6/c1-4-6-12-26-20-19(21(28)24-22(26)29)25(5-2)17(23-20)14-32-18(27)11-13-31-16-9-7-15(30-3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,24,28,29)