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

Systemtic Name: 6-(azepan-1-yl)-N2,N2-dimethyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2,N2-dimethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2,N2-dimethyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N,2-N-dimethyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-dimethyl-amine Formula: C12H20N6O2 MolecularWeight: 280.3262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N6O2/c1-16(2)12-14-10(13)9(18(19)20)11(15-12)17-7-5-3-4-6-8-17/h3-8H2,1-2H3,(H2,13,14,15)