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

Systemtic Name: 4-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-chloro-2,5-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-chloro-2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)O

InChI

InChI=1S/C16H14ClN3O4S/c1-7-12-14(18-6-19-15(12)25-13(7)16(21)22)20-9-5-10(23-2)8(17)4-11(9)24-3/h4-6H,1-3H3,(H,21,22)(H,18,19,20)