3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-phenoxy-pentanoic acid

Systemtic Name: 3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-2-phenoxy-pentanoic acid Openeye Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-phenoxy-pentanoic acid CAS Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-phenoxypentanoic acid IUPAC Name: 3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-phenoxypentanoic acid Traditional Name: 3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-2-phenoxy-valeric acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC)C(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(CC)C(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5/c1-4-12-25-19-16(20(27)26(13-5-2)22(25)30)23-18(24-19)15(6-3)17(21(28)29)31-14-10-8-7-9-11-14/h7-11,15,17H,4-6,12-13H2,1-3H3,(H,23,24)(H,28,29)