3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]phenyl]propionic acid Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H25N5O5/c1-2-3-11-30-19-23-17(21)16-18(24-19)25(20(28)22-16)10-12-29-14-7-4-13(5-8-14)6-9-15(26)27/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,22,28)(H,26,27)(H2,21,23,24)