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

Systemtic Name: 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propylamino]phenyl]acetic acid CAS Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propylamino]phenyl]acetic acid IUPAC Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propylamino]phenyl]acetic acid Traditional Name: 2-[3-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propylamino]phenyl]acetic acid Formula: C20H26N6O4 MolecularWeight: 414.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCNC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCNC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C20H26N6O4/c1-2-3-10-30-19-24-17(21)16-18(25-19)26(20(29)23-16)9-5-8-22-14-7-4-6-13(11-14)12-15(27)28/h4,6-7,11,22H,2-3,5,8-10,12H2,1H3,(H,23,29)(H,27,28)(H2,21,24,25)