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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(C)CNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C14H24N6O2/c1-10(2)9-16-14-17-12(15)11(20(21)22)13(18-14)19-7-5-3-4-6-8-19/h10H,3-9H2,1-2H3,(H3,15,16,17,18)