2-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxido-2-oxo-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxido-2-oxoethyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxido-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-fluorobenzyl)-4-keto-3-(2-keto-2-oxido-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H11FN2O5S-2 MolecularWeight: 374.343043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3F)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=CC=C3F)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H13FN2O5S/c1-8-13-15(26-14(8)17(24)25)19-11(20(16(13)23)7-12(21)22)6-9-4-2-3-5-10(9)18/h2-5H,6-7H2,1H3,(H,21,22)(H,24,25)/p-2