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

Systemtic Name: cyclohexyl 4-[(2-chloranyl-5-methoxycarbonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(2-chloro-5-methoxycarbonyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-chloro-5-methoxycarbonylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(2-chloro-5-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-carbomethoxy-2-chloro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-12-17-19(26-16-10-13(21(27)29-2)8-9-15(16)23)24-11-25-20(17)31-18(12)22(28)30-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,24,25,26)