2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl]-5-methyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-(3-chloro-4-fluoro-benzyl)-5-methyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H10ClFN2O2S2 MolecularWeight: 368.833503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=S)NC(=N2)CC3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=S)NC(=N2)CC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C15H10ClFN2O2S2/c1-6-11-13(22)18-10(19-14(11)23-12(6)15(20)21)5-7-2-3-9(17)8(16)4-7/h2-4H,5H2,1H3,(H,20,21)(H,18,19,22)