[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic 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] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H14FN5O3S MolecularWeight: 399.398863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H14FN5O3S/c1-8-12-10(19)4-3-5-11(12)28-14(8)18(26)27-9(2)17(25)24-16-13-15(21-6-20-13)22-7-23-16/h3-7,9H,1-2H3,(H2,20,21,22,23,24,25)/t9-/m0/s1