6-(azepan-1-yl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-isopentyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C15H26N6O2 MolecularWeight: 322.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C15H26N6O2/c1-11(2)7-8-17-15-18-13(16)12(21(22)23)14(19-15)20-9-5-3-4-6-10-20/h11H,3-10H2,1-2H3,(H3,16,17,18,19)