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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3-chloro-4-methoxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3-chloro-4-methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3-chloro-4-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3-chloro-4-methoxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14ClN3O3S MolecularWeight: 363.81866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c1-7-12-14(20-9-4-5-11(23-3)10(17)6-9)18-8(2)19-15(12)24-13(7)16(21)22/h4-6H,1-3H3,(H,21,22)(H,18,19,20)