1-(2-methylsulfanyl-5-nitro-6-propan-2-ylsulfanyl-pyrimidin-4-yl)pentan-3-amine

Systemtic Name: 1-(2-methylsulfanyl-5-nitro-6-propan-2-ylsulfanyl-pyrimidin-4-yl)pentan-3-amine Openeye Name: 1-(6-isopropylsulfanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)pentan-3-amine CAS Name: 1-[2-(methylthio)-5-nitro-6-(propan-2-ylthio)-4-pyrimidinyl]-3-pentanamine IUPAC Name: 1-(2-methylsulfanyl-5-nitro-6-propan-2-ylsulfanylpyrimidin-4-yl)pentan-3-amine Traditional Name: [1-ethyl-3-[6-(isopropylthio)-2-(methylthio)-5-nitro-pyrimidin-4-yl]propyl]amine Formula: C13H22N4O2S2 MolecularWeight: 330.46938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C(=NC(=N1)SC)SC(C)C)[N+](=O)[O-])N

Isomeric SMILES

CCC(CCC1=C(C(=NC(=N1)SC)SC(C)C)[N+](=O)[O-])N

InChI

InChI=1S/C13H22N4O2S2/c1-5-9(14)6-7-10-11(17(18)19)12(21-8(2)3)16-13(15-10)20-4/h8-9H,5-7,14H2,1-4H3