N4-cyclohexyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cyclohexyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H23N7O2 MolecularWeight: 345.39952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O2/c24-23(25)14-15(18-7-4-9-22-10-8-17-12-22)19-11-20-16(14)21-13-5-2-1-3-6-13/h8,10-13H,1-7,9H2,(H2,18,19,20,21)