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

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3-chloro-4-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3-chloro-4-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3-chloro-4-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3-chloro-4-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C)Cl

InChI

InChI=1S/C16H14ClN3O2S/c1-7-4-5-10(6-11(7)17)20-14-12-8(2)13(16(21)22)23-15(12)19-9(3)18-14/h4-6H,1-3H3,(H,21,22)(H,18,19,20)