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

Systemtic Name: 6-(azepan-1-yl)-N2-[3-(diethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-[3-(diethylamino)propyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-[3-(diethylamino)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-[3-(diethylamino)propyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-amine Formula: C17H31N7O2 MolecularWeight: 365.47374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N7O2/c1-3-22(4-2)11-9-10-19-17-20-15(18)14(24(25)26)16(21-17)23-12-7-5-6-8-13-23/h3-13H2,1-2H3,(H3,18,19,20,21)