methyl 5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-fluoro-benzoate CAS Name: 5-[(6-amino-2-butoxy-9-purinyl)methyl]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(6-amino-2-butoxypurin-9-yl)methyl]-2-fluorobenzoate Traditional Name: 5-[(6-amino-2-butoxy-purin-9-yl)methyl]-2-fluoro-benzoic acid methyl ester Formula: C18H20FN5O3 MolecularWeight: 373.381503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C18H20FN5O3/c1-3-4-7-27-18-22-15(20)14-16(23-18)24(10-21-14)9-11-5-6-13(19)12(8-11)17(25)26-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,20,22,23)