N4,N4-diethyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N4-diethyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N4-diethyl-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-diethyl-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-diethyl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: diethyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H23N5O2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NCCC(C)C

InChI

InChI=1S/C13H23N5O2/c1-5-17(6-2)13-11(18(19)20)12(15-9-16-13)14-8-7-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,16)