N6-methyl-N4-(3-methylbutyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-methyl-N4-(3-methylbutyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-isopentyl-N6-methyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-methyl-N4-(3-methylbutyl)-2-(methylthio)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-methyl-4-N-(3-methylbutyl)-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[6-(methylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C11H19N5O2S MolecularWeight: 285.36586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=NC(=C1[N+](=O)[O-])NC)SC

Isomeric SMILES

CC(C)CCNC1=NC(=NC(=C1[N+](=O)[O-])NC)SC

InChI

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