methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-1-methyl-4-oxidanylidene-7-thiophen-2-yl-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-1-methyl-4-oxidanylidene-7-thiophen-2-yl-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1-methyl-4-oxo-7-(2-thienyl)pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-1-methyl-4-oxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-methyl-4-oxo-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-keto-1-methyl-7-(2-thienyl)pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C21H15ClFN3O3S2 MolecularWeight: 475.943503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=N2)C3=CC=CS3)C(=O)OC)C(=O)N=C1SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CN1C2=C(C(=CC(=N2)C3=CC=CS3)C(=O)OC)C(=O)N=C1SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN3O3S2/c1-26-18-17(13(20(28)29-2)9-15(24-18)16-4-3-7-30-16)19(27)25-21(26)31-10-11-5-6-12(23)8-14(11)22/h3-9H,10H2,1-2H3