N-(2-hydroxyethyl)-4-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2-hydroxyethyl)-4-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-hydroxyethyl)-4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanyl-butanamide CAS Name: 4-[[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]thio]-N-(2-hydroxyethyl)butanamide IUPAC Name: N-(2-hydroxyethyl)-4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanylbutanamide Traditional Name: N-(2-hydroxyethyl)-4-[[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]thio]butyramide Formula: C13H19F3N6O2S MolecularWeight: 380.38917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC(=O)NCCO

Isomeric SMILES

C1=CN=C(N=C1NC(=NCC(F)(F)F)N)SCCCC(=O)NCCO

InChI

InChI=1S/C13H19F3N6O2S/c14-13(15,16)8-20-11(17)21-9-3-4-19-12(22-9)25-7-1-2-10(24)18-5-6-23/h3-4,23H,1-2,5-8H2,(H,18,24)(H3,17,19,20,21,22)