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

Systemtic Name: N-phenyl-5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]pentanamide Openeye Name: N-phenyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanamide CAS Name: 5-[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]-N-phenylpentanamide IUPAC Name: N-phenyl-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanamide Traditional Name: N-phenyl-5-[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]valeramide Formula: C18H21F3N6O MolecularWeight: 394.39415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCC2=NC=CC(=N2)NC(=NCC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCC2=NC=CC(=N2)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C18H21F3N6O/c19-18(20,21)12-24-17(22)27-15-10-11-23-14(26-15)8-4-5-9-16(28)25-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,25,28)(H3,22,23,24,26,27)