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

Systemtic Name: methyl 4-[4-[[N'-[2,2,2-tris(fluoranyl)ethyl]carbamimidoyl]amino]pyrimidin-2-yl]sulfanylbutanimidate Openeye Name: methyl 4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanylbutanimidate CAS Name: 4-[[4-[[amino(2,2,2-trifluoroethylimino)methyl]amino]-2-pyrimidinyl]thio]butanimidic acid methyl ester IUPAC Name: methyl 4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]sulfanylbutanimidate Traditional Name: 4-[[4-[[N'-(2,2,2-trifluoroethyl)amidino]amino]pyrimidin-2-yl]thio]butyrimidic acid methyl ester Formula: C12H17F3N6OS MolecularWeight: 350.36319

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)CCCSC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

Isomeric SMILES

COC(=N)CCCSC1=NC=CC(=N1)NC(=NCC(F)(F)F)N

InChI

InChI=1S/C12H17F3N6OS/c1-22-8(16)3-2-6-23-11-18-5-4-9(21-11)20-10(17)19-7-12(13,14)15/h4-5,16H,2-3,6-7H2,1H3,(H3,17,18,19,20,21)