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

Systemtic Name: 2-(2-cyanoethylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-(2-cyanoethylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(2-cyanoethylthio)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-(2-cyanoethylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(2-cyanoethylthio)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCCC#N)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCCC#N)C(=O)O

InChI

InChI=1S/C12H11N3O3S2/c1-6-8-10(16)14-7(5-19-4-2-3-13)15-11(8)20-9(6)12(17)18/h2,4-5H2,1H3,(H,17,18)(H,14,15,16)