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

Systemtic Name: 1-(2-methylsulfanyl-5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)pentan-3-amine Openeye Name: 1-(6-isopropoxy-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)pentan-3-amine CAS Name: 1-[2-(methylthio)-5-nitro-6-propan-2-yloxy-4-pyrimidinyl]-3-pentanamine IUPAC Name: 1-(2-methylsulfanyl-5-nitro-6-propan-2-yloxypyrimidin-4-yl)pentan-3-amine Traditional Name: [1-ethyl-3-[6-isopropoxy-2-(methylthio)-5-nitro-pyrimidin-4-yl]propyl]amine Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3S/c1-5-9(14)6-7-10-11(17(18)19)12(20-8(2)3)16-13(15-10)21-4/h8-9H,5-7,14H2,1-4H3