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

Systemtic Name: 2-[4-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-2-methoxy-phenoxy]acetic acid Formula: C23H30N4O6 MolecularWeight: 458.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(=O)O)OC)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC(=O)O)OC)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C23H30N4O6/c1-4-6-8-12-26-19-21(27(11-7-5-2)23(31)25-22(19)30)24-20(26)15-9-10-16(17(13-15)32-3)33-14-18(28)29/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,28,29)(H,25,30,31)