[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic 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] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H15FN6O3 MolecularWeight: 394.359203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H15FN6O3/c1-9-13(5-11-3-4-12(20)6-14(11)25-9)19(28)29-10(2)18(27)26-17-15-16(22-7-21-15)23-8-24-17/h3-8,10H,1-2H3,(H2,21,22,23,24,26,27)/t10-/m0/s1