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

Systemtic Name: methyl 5-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]oxypentanimidate Openeye Name: methyl 5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]oxypentanimidate CAS Name: 5-[[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]oxy]pentanimidic acid methyl ester IUPAC Name: methyl 5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]oxypentanimidate Traditional Name: 5-[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]oxyvalerimidic acid methyl ester Formula: C13H19F3N6O2 MolecularWeight: 348.32417

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)CCCCOC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

Isomeric SMILES

COC(=N)CCCCOC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C13H19F3N6O2/c1-23-9(17)4-2-3-7-24-12-19-6-5-10(22-12)21-11(18)20-8-13(14,15)16/h5-6,17H,2-4,7-8H2,1H3,(H3,18,19,20,21,22)