6-(azepan-1-yl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C15H27N7O2 MolecularWeight: 337.42058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C15H27N7O2/c1-20(2)9-7-8-17-15-18-13(16)12(22(23)24)14(19-15)21-10-5-3-4-6-11-21/h3-11H2,1-2H3,(H3,16,17,18,19)