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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)