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

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-ethoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-ethoxy-phenyl]acetic acid CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-ethoxyphenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-ethoxyphenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-ethoxy-phenyl]acetic acid Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3OCC)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3OCC)CC(=O)O

InChI

InChI=1S/C20H25N5O5/c1-3-5-9-30-19-23-17(21)15-18(24-19)25(20(28)22-15)11-13-8-6-7-12(10-14(26)27)16(13)29-4-2/h6-8H,3-5,9-11H2,1-2H3,(H,22,28)(H,26,27)(H2,21,23,24)