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

Systemtic Name: methyl 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-2-fluoranyl-phenyl]ethanoate Openeye Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluoro-phenyl]acetate CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]acetate Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-2-fluoro-phenyl]acetic acid methyl ester Formula: C19H22FN5O4 MolecularWeight: 403.407483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O4/c1-3-4-7-29-18-23-16(21)15-17(24-18)25(19(27)22-15)10-11-5-6-13(20)12(8-11)9-14(26)28-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,22,27)(H2,21,23,24)