N4-cycloheptyl-N6-ethyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O2/c1-2-14-12-11(18(19)20)13(16-9-15-12)17-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)