2-[2,6-bis(fluoranyl)phenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-(2,6-difluorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2,6-difluorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-(2,6-difluorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2,6-difluorophenyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H7F2N2O3S- MolecularWeight: 321.278786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=C(C=CC=C3F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=C(C=CC=C3F)F)C(=O)[O-]

InChI

InChI=1S/C14H8F2N2O3S/c1-5-8-12(19)17-11(9-6(15)3-2-4-7(9)16)18-13(8)22-10(5)14(20)21/h2-4H,1H3,(H,20,21)(H,17,18,19)/p-1