5-methyl-3-[2-(4-methylphenyl)sulfonylimino-2-oxidanidyl-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-[2-(4-methylphenyl)sulfonylimino-2-oxidanidyl-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-[2-oxido-2-(p-tolylsulfonylimino)ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methylphenyl)sulfonylimino-2-oxidoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-[2-(4-methylphenyl)sulfonylimino-2-oxidoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(2-oxido-2-tosylimino-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N3O6S2-2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(CN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(CN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C)[O-]

InChI

InChI=1S/C17H15N3O6S2/c1-9-3-5-11(6-4-9)28(25,26)19-12(21)7-20-8-18-15-13(16(20)22)10(2)14(27-15)17(23)24/h3-6,8H,7H2,1-2H3,(H,19,21)(H,23,24)/p-2