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

Systemtic Name: 5-methyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-(2-methyl-5-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-(2-methyl-5-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H12N4O4S MolecularWeight: 344.34518

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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(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c1-7-3-4-9(19(22)23)5-10(7)18-13-11-8(2)12(15(20)21)24-14(11)17-6-16-13/h3-6H,1-2H3,(H,20,21)(H,16,17,18)