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

Systemtic Name: 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-methyl-amino]phenyl]ethanoic acid Openeye Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methyl-amino]phenyl]acetic acid CAS Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylamino]phenyl]acetic acid IUPAC Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-methylamino]phenyl]acetic acid Traditional Name: 2-[3-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-methyl-amino]phenyl]acetic acid Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(C)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(C)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C21H28N6O4/c1-3-4-11-31-20-24-18(22)17-19(25-20)27(21(30)23-17)10-6-9-26(2)15-8-5-7-14(12-15)13-16(28)29/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3,(H,23,30)(H,28,29)(H2,22,24,25)