2-[3-[[6-azanyl-8-oxidanylidene-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[6-azanyl-8-oxidanylidene-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[6-amino-8-oxo-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid CAS Name: 2-[3-[[6-amino-8-oxo-2-[2-(phenylthio)ethoxy]-7H-purin-9-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[6-amino-8-oxo-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[6-amino-8-keto-2-[2-(phenylthio)ethoxy]-7H-purin-9-yl]methyl]phenyl]acetic acid Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCOC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C22H21N5O4S/c23-19-18-20(26-21(25-19)31-9-10-32-16-7-2-1-3-8-16)27(22(30)24-18)13-15-6-4-5-14(11-15)12-17(28)29/h1-8,11H,9-10,12-13H2,(H,24,30)(H,28,29)(H2,23,25,26)