2-[4-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[4-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl-methyl-amino]ethanoic acid Openeye Name: 2-[4-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]oxy]butyl-methyl-amino]acetic acid CAS Name: 2-[4-[[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]butyl-methylamino]acetic acid IUPAC Name: 2-[4-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl-methylamino]acetic acid Traditional Name: 2-[4-[[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]oxy]butyl-methyl-amino]acetic acid Formula: C22H31N7O5 MolecularWeight: 473.52544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCCN(C)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CN=C(C=C3)OCCCCN(C)CC(=O)O

InChI

InChI=1S/C22H31N7O5/c1-3-4-10-34-21-26-19(23)18-20(27-21)29(22(32)25-18)13-15-7-8-16(24-12-15)33-11-6-5-9-28(2)14-17(30)31/h7-8,12H,3-6,9-11,13-14H2,1-2H3,(H,25,32)(H,30,31)(H2,23,26,27)