5-chloranyl-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H16ClFN4O4S2 MolecularWeight: 446.904043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C16H16ClFN4O4S2/c1-27-16-19-9-11(17)14(21-16)15(23)20-10-2-3-12(18)13(8-10)28(24,25)22-4-6-26-7-5-22/h2-3,8-9H,4-7H2,1H3,(H,20,23)