5-nitro-4-pentyl-6-propan-2-ylsulfanyl-2-(trifluoromethyl)-4H-pyrimidin-3-amine

Systemtic Name: 5-nitro-4-pentyl-6-propan-2-ylsulfanyl-2-(trifluoromethyl)-4H-pyrimidin-3-amine Openeye Name: 6-isopropylsulfanyl-5-nitro-4-pentyl-2-(trifluoromethyl)-4H-pyrimidin-3-amine CAS Name: 5-nitro-4-pentyl-6-(propan-2-ylthio)-2-(trifluoromethyl)-4H-pyrimidin-3-amine IUPAC Name: 5-nitro-4-pentyl-6-propan-2-ylsulfanyl-2-(trifluoromethyl)-4H-pyrimidin-3-amine Traditional Name: [4-amyl-6-(isopropylthio)-5-nitro-2-(trifluoromethyl)-4H-pyrimidin-3-yl]amine Formula: C13H21F3N4O2S MolecularWeight: 354.39165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(N=C(N1N)C(F)(F)F)SC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1C(=C(N=C(N1N)C(F)(F)F)SC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21F3N4O2S/c1-4-5-6-7-9-10(20(21)22)11(23-8(2)3)18-12(19(9)17)13(14,15)16/h8-9H,4-7,17H2,1-3H3