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

Systemtic Name: methyl 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxidanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-7-cyclopropyl-1-ethyl-4-oxo-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-7-cyclopropyl-1-ethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-7-cyclopropyl-1-ethyl-4-keto-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C21H19ClFN3O3S MolecularWeight: 447.910263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N=C1SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)OC)C(=O)N=C1SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O3S/c1-3-26-18-17(14(20(28)29-2)9-16(24-18)11-4-5-11)19(27)25-21(26)30-10-12-6-7-13(23)8-15(12)22/h6-9,11H,3-5,10H2,1-2H3