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

Systemtic Name: 2-[6-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-2-yl]ethanoic acid Openeye Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridyl]acetic acid CAS Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]acetic acid IUPAC Name: 2-[6-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]acetic acid Traditional Name: 2-[6-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-pyridyl]acetic acid Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=N3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=N3)CC(=O)O

InChI

InChI=1S/C17H20N6O4/c1-2-3-7-27-16-21-14(18)13-15(22-16)23(17(26)20-13)9-11-6-4-5-10(19-11)8-12(24)25/h4-6H,2-3,7-9H2,1H3,(H,20,26)(H,24,25)(H2,18,21,22)