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

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(5-chloro-2-hydroxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(5-chloro-2-hydroxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(5-chloro-2-hydroxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(5-chloro-2-hydroxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C)C(=O)O

InChI

InChI=1S/C15H12ClN3O3S/c1-6-11-13(19-9-5-8(16)3-4-10(9)20)17-7(2)18-14(11)23-12(6)15(21)22/h3-5,20H,1-2H3,(H,21,22)(H,17,18,19)