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

Systemtic Name: 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetic acid CAS Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetic acid IUPAC Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetic acid Traditional Name: 2-[3-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]phenyl]acetic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C20H25N5O4/c1-2-3-10-29-19-23-17(21)16-18(24-19)25(20(28)22-16)9-5-8-13-6-4-7-14(11-13)12-15(26)27/h4,6-7,11H,2-3,5,8-10,12H2,1H3,(H,22,28)(H,26,27)(H2,21,23,24)