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

Systemtic Name: N2-(3-azanylpropyl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-aminopropyl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-aminopropyl)-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-aminopropyl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-aminopropylamino)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C13H16FN7O2 MolecularWeight: 321.310243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN)F

InChI

InChI=1S/C13H16FN7O2/c14-8-4-1-2-5-9(8)18-12-10(21(22)23)11(16)19-13(20-12)17-7-3-6-15/h1-2,4-5H,3,6-7,15H2,(H4,16,17,18,19,20)