2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloranyl-5-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[2-chloro-5-(trifluoromethyl)phenyl]propionamide Formula: C14H12ClF3N4O2S MolecularWeight: 392.78389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H12ClF3N4O2S/c1-6(25-13-21-10(19)5-11(23)22-13)12(24)20-9-4-7(14(16,17)18)2-3-8(9)15/h2-6H,1H3,(H,20,24)(H3,19,21,22,23)