5-chloranyl-N-(2,6-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,6-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(2-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H17ClFN3OS MolecularWeight: 401.884883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H17ClFN3OS/c1-12-6-5-7-13(2)17(12)24-19(26)18-15(21)10-23-20(25-18)27-11-14-8-3-4-9-16(14)22/h3-10H,11H2,1-2H3,(H,24,26)