6-(azepan-1-yl)-N2,N2-diethyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2,N2-diethyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2,N2-diethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2,N2-diethyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N,2-N-diethyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-diethyl-amine Formula: C14H24N6O2 MolecularWeight: 308.37936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CCN(CC)C1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H24N6O2/c1-3-18(4-2)14-16-12(15)11(20(21)22)13(17-14)19-9-7-5-6-8-10-19/h3-10H2,1-2H3,(H2,15,16,17)