[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-methylphenoxy)ethanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 2-(2-methylphenoxy)ethanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)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-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=CC=CC=C3C)CCC

InChI

InChI=1S/C22H28N4O5/c1-4-6-12-26-20-19(21(28)24-22(26)29)25(11-5-2)17(23-20)13-31-18(27)14-30-16-10-8-7-9-15(16)3/h7-10H,4-6,11-14H2,1-3H3,(H,24,28,29)