N4-butan-2-yl-N6-ethyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-ethyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-2-methylsulfanyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-ethyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-ethyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[2-(methylthio)-5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C11H19N5O2S MolecularWeight: 285.36586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

Isomeric SMILES

CCC(C)NC1=NC(=NC(=C1[N+](=O)[O-])NCC)SC

InChI

InChI=1S/C11H19N5O2S/c1-5-7(3)13-10-8(16(17)18)9(12-6-2)14-11(15-10)19-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15)