2,5-dimethyl-4-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2,5-dimethyl-4-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-4-[4-(2-oxido-2-oxo-ethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-oxido-2-oxoethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-4-[4-(2-oxido-2-oxoethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(2-keto-2-oxido-ethyl)anilino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)CC(=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)CC(=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-8-13-15(18-9(2)19-16(13)25-14(8)17(23)24)20-11-5-3-10(4-6-11)7-12(21)22/h3-6H,7H2,1-2H3,(H,21,22)(H,23,24)(H,18,19,20)/p-2