N2-cyclohexyl-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-cyclohexyl-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-cyclohexyl-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-cyclohexyl-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-cyclohexyl-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]-(3-fluorophenyl)amine Formula: C16H19FN6O2 MolecularWeight: 346.359463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N

InChI

InChI=1S/C16H19FN6O2/c17-10-5-4-8-12(9-10)19-15-13(23(24)25)14(18)21-16(22-15)20-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H4,18,19,20,21,22)