2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-chloro-6-fluoro-benzyl)-N-methyl-acetamide Formula: C15H13ClFN5OS MolecularWeight: 365.813023

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H13ClFN5OS/c1-22(7-10-11(16)3-2-4-12(10)17)13(23)8-24-15-20-6-9(5-18)14(19)21-15/h2-4,6H,7-8H2,1H3,(H2,19,20,21)