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

Systemtic Name: phenethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H18ClFN2O3S MolecularWeight: 456.917023

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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)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=CC=C3Cl)F)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H18ClFN2O3S/c1-14-19-21(31-20(14)23(29)30-11-10-15-6-3-2-4-7-15)26-13-27(22(19)28)12-16-17(24)8-5-9-18(16)25/h2-9,13H,10-12H2,1H3