5-chloranyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(3-fluoro-4-methyl-phenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-fluoro-4-methyl-benzyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H13ClFN3OS MolecularWeight: 325.788923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC)F

InChI

InChI=1S/C14H13ClFN3OS/c1-8-3-4-9(5-11(8)16)6-17-13(20)12-10(15)7-18-14(19-12)21-2/h3-5,7H,6H2,1-2H3,(H,17,20)