N2-[(2S)-butan-2-yl]-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[(2S)-butan-2-yl]-N4-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-cyclohexyl-N2-[(1S)-1-methylpropyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(2S)-butan-2-yl]-N4-cyclohexyl-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(2S)-butan-2-yl]-4-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]-[(1S)-1-methylpropyl]amine Formula: C14H24N6O2 MolecularWeight: 308.37936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N

InChI

InChI=1S/C14H24N6O2/c1-3-9(2)16-14-18-12(15)11(20(21)22)13(19-14)17-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H4,15,16,17,18,19)/t9-/m0/s1