[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H16FN5O3 MolecularWeight: 357.339043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN5O3/c1-10(26-13(24)7-4-11-2-5-12(18)6-3-11)17(25)23-16-14-15(20-8-19-14)21-9-22-16/h2-3,5-6,8-10H,4,7H2,1H3,(H2,19,20,21,22,23,25)/t10-/m0/s1