2-ethyl-6-methylsulfanyl-5-nitro-4-pentyl-4H-pyrimidin-3-amine

Systemtic Name: 2-ethyl-6-methylsulfanyl-5-nitro-4-pentyl-4H-pyrimidin-3-amine Openeye Name: 2-ethyl-6-methylsulfanyl-5-nitro-4-pentyl-4H-pyrimidin-3-amine CAS Name: 2-ethyl-6-(methylthio)-5-nitro-4-pentyl-4H-pyrimidin-3-amine IUPAC Name: 2-ethyl-6-methylsulfanyl-5-nitro-4-pentyl-4H-pyrimidin-3-amine Traditional Name: [4-amyl-2-ethyl-6-(methylthio)-5-nitro-4H-pyrimidin-3-yl]amine Formula: C12H22N4O2S MolecularWeight: 286.39368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O2S/c1-4-6-7-8-9-11(16(17)18)12(19-3)14-10(5-2)15(9)13/h9H,4-8,13H2,1-3H3