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

Systemtic Name: 5-chloranyl-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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