2-[4-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetic acid CAS Name: 2-[4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)phenoxy]acetic acid Traditional Name: 2-[4-(1,3-dibutyl-2,6-diketo-7H-purin-8-yl)phenoxy]acetic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H26N4O5/c1-3-5-11-24-19-17(20(28)25(21(24)29)12-6-4-2)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23)(H,26,27)