2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[(4-fluorophenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[(4-fluorophenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11FN2O3S2 MolecularWeight: 350.387843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C15H11FN2O3S2/c1-7-11-13(19)17-10(18-14(11)23-12(7)15(20)21)6-22-9-4-2-8(16)3-5-9/h2-5H,6H2,1H3,(H,20,21)(H,17,18,19)