N-methyl-5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-methyl-5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-pentanamide Openeye Name: N-methyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-pentanamide CAS Name: 5-[[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]thio]-N-methylpentanamide IUPAC Name: N-methyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanylpentanamide Traditional Name: N-methyl-5-[[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]thio]valeramide Formula: C13H19F3N6OS MolecularWeight: 364.38977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCCSC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

Isomeric SMILES

CNC(=O)CCCCSC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C13H19F3N6OS/c1-18-10(23)4-2-3-7-24-12-19-6-5-9(22-12)21-11(17)20-8-13(14,15)16/h5-6H,2-4,7-8H2,1H3,(H,18,23)(H3,17,19,20,21,22)