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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(=O)O)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC(=O)O)OC)CCC

InChI

InChI=1S/C21H26N4O6/c1-4-6-10-25-19-17(20(28)23-21(25)29)24(9-5-2)18(22-19)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)