ethyl 4-azanyl-2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-chloro-4-fluorophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-chloro-4-fluoro-benzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13ClFN3O2S MolecularWeight: 341.788323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H13ClFN3O2S/c1-2-21-13(20)10-6-18-14(19-12(10)17)22-7-8-3-4-9(16)5-11(8)15/h3-6H,2,7H2,1H3,(H2,17,18,19)