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

Systemtic Name: cyclohexyl 4-[(5-chloranyl-2-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(5-chloro-2-hydroxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(5-chloro-2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-chloro-2-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)Cl)O)C(=O)OC4CCCCC4

InChI

InChI=1S/C20H20ClN3O3S/c1-11-16-18(24-14-9-12(21)7-8-15(14)25)22-10-23-19(16)28-17(11)20(26)27-13-5-3-2-4-6-13/h7-10,13,25H,2-6H2,1H3,(H,22,23,24)