2,5-dimethyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-(2-methyl-5-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-(2-methyl-5-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C16H14N4O4S/c1-7-4-5-10(20(23)24)6-11(7)19-14-12-8(2)13(16(21)22)25-15(12)18-9(3)17-14/h4-6H,1-3H3,(H,21,22)(H,17,18,19)