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

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(2-chloro-4-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(2-chloro-4-nitroanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloro-4-nitroanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(2-chloro-4-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11ClN4O4S MolecularWeight: 378.79024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C)C(=O)O

InChI

InChI=1S/C15H11ClN4O4S/c1-6-11-13(17-7(2)18-14(11)25-12(6)15(21)22)19-10-4-3-8(20(23)24)5-9(10)16/h3-5H,1-2H3,(H,21,22)(H,17,18,19)