N6-ethyl-N4-(2-methylpentyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-N4-(2-methylpentyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4-(2-methylpentyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N4-(2-methylpentyl)-2-(methylthio)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-4-N-(2-methylpentyl)-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(2-methylpentylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C13H23N5O2S MolecularWeight: 313.41902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CNC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

Isomeric SMILES

CCCC(C)CNC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

InChI

InChI=1S/C13H23N5O2S/c1-5-7-9(3)8-15-12-10(18(19)20)11(14-6-2)16-13(17-12)21-4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)