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

Systemtic Name: 2-[4-(6-oxidanylidene-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(6-oxo-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetic acid CAS Name: 2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetic acid Traditional Name: 2-[4-(6-keto-1,3-dipropyl-2-thioxo-7H-purin-8-yl)phenoxy]acetic acid Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)28)20-16(21-17)12-5-7-13(8-6-12)27-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)