cyclohexyl 3-[2-(4-chloranylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 3-[2-(4-chloranylphenoxy)ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[2-(4-chlorophenoxy)ethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-chlorophenoxy)ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)Cl)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=C(C=C3)Cl)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H23ClN2O4S/c1-14-18-20(30-19(14)22(27)29-17-5-3-2-4-6-17)24-13-25(21(18)26)11-12-28-16-9-7-15(23)8-10-16/h7-10,13,17H,2-6,11-12H2,1H3