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

Systemtic Name: cyclohexyl 4-[(3,4-dichlorophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(3,4-dichloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dichloroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3,4-dichloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dichloroanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C20H19Cl2N3O2S MolecularWeight: 436.35476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O2S/c1-11-16-18(25-12-7-8-14(21)15(22)9-12)23-10-24-19(16)28-17(11)20(26)27-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,23,24,25)