methyl 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-(p-tolylsulfonylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(tosylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C17H16N2O5S2/c1-9-4-6-11(7-5-9)26(22,23)8-12-18-15(20)13-10(2)14(17(21)24-3)25-16(13)19-12/h4-7H,8H2,1-3H3,(H,18,19,20)