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

Systemtic Name: cyclohexyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[(2-chloro-6-fluoro-phenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H20ClFN2O3S MolecularWeight: 434.911503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H20ClFN2O3S/c1-12-17-19(29-18(12)21(27)28-13-6-3-2-4-7-13)24-11-25(20(17)26)10-14-15(22)8-5-9-16(14)23/h5,8-9,11,13H,2-4,6-7,10H2,1H3