[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3,4-bis(fluoranyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3,4-bis(fluoranyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic 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-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C15H11F2N5O3 MolecularWeight: 347.276346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F2N5O3/c1-7(25-15(24)8-2-3-9(16)10(17)4-8)14(23)22-13-11-12(19-5-18-11)20-6-21-13/h2-7H,1H3,(H2,18,19,20,21,22,23)/t7-/m0/s1