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

Systemtic Name: cyclohexyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2,5-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-chloro-2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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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)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H24ClN3O4S/c1-12-18-20(26-15-10-16(28-2)14(23)9-17(15)29-3)24-11-25-21(18)31-19(12)22(27)30-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,24,25,26)