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

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H14FN5O4 MolecularWeight: 383.333263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H14FN5O4/c1-8-10-4-3-5-11(19)14(10)28-13(8)18(26)27-9(2)17(25)24-16-12-15(21-6-20-12)22-7-23-16/h3-7,9H,1-2H3,(H2,20,21,22,23,24,25)