N4-cycloheptyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2CCCCCC2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2CCCCCC2

InChI

InChI=1S/C16H27N5O2/c1-12(2)9-10-17-15-14(21(22)23)16(19-11-18-15)20-13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H2,17,18,19,20)