5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-(p-tolylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-N-[(4-methylphenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]-N-(4-methylbenzyl)pyrimidine-4-carboxamide Formula: C20H17ClFN3OS MolecularWeight: 401.884883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17ClFN3OS/c1-13-2-4-14(5-3-13)10-23-19(26)18-17(21)11-24-20(25-18)27-12-15-6-8-16(22)9-7-15/h2-9,11H,10,12H2,1H3,(H,23,26)