2-[4-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)-2-methoxy-phenoxy]acetic acid Formula: C21H26N4O6 MolecularWeight: 430.45434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(=O)O)OC)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(=O)O)OC)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C21H26N4O6/c1-4-6-10-24-17-19(25(9-5-2)21(29)23-20(17)28)22-18(24)13-7-8-14(15(11-13)30-3)31-12-16(26)27/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,26,27)(H,23,28,29)