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

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

InChI

InChI=1S/C17H16N2O3S2/c1-8-4-5-9(2)11(6-8)23-7-12-18-15(20)13-10(3)14(17(21)22)24-16(13)19-12/h4-6H,7H2,1-3H3,(H,21,22)(H,18,19,20)