ethyl 2-[(5-fluoranyl-2-nitro-phenoxy)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(5-fluoranyl-2-nitro-phenoxy)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-fluoro-2-nitro-phenoxy)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(5-fluoro-2-nitrophenoxy)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-fluoro-2-nitrophenoxy)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(5-fluoro-2-nitro-phenoxy)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14FN3O6S MolecularWeight: 407.372963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H14FN3O6S/c1-3-26-17(23)14-8(2)13-15(22)19-12(20-16(13)28-14)7-27-11-6-9(18)4-5-10(11)21(24)25/h4-6H,3,7H2,1-2H3,(H,19,20,22)