2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C13H12F3N5OS MolecularWeight: 343.32749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)C(F)(F)F

InChI

InChI=1S/C13H12F3N5OS/c14-13(15,16)7-2-1-3-8(4-7)19-11(22)6-23-12-20-9(17)5-10(18)21-12/h1-5H,6H2,(H,19,22)(H4,17,18,20,21)