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

Systemtic Name: 2-[4-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(3,7-dibutyl-2,6-dioxo-8-purinyl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(3,7-dibutyl-2,6-dioxopurin-8-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(3,7-dibutyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetic acid Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6/c1-4-6-10-25-18-20(26(11-7-5-2)22(30)24-21(18)29)23-19(25)14-8-9-15(16(12-14)31-3)32-13-17(27)28/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,27,28)(H,24,29,30)