2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluoro-phenyl]acetic acid CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]acetic acid IUPAC Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]acetic acid Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-fluoro-phenyl]acetic acid Formula: C18H20FN5O4 MolecularWeight: 389.380903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5O4/c1-2-3-6-28-17-22-15(20)14-16(23-17)24(18(27)21-14)9-10-4-5-12(19)11(7-10)8-13(25)26/h4-5,7H,2-3,6,8-9H2,1H3,(H,21,27)(H,25,26)(H2,20,22,23)