N2-[3-(dimethylamino)propyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[3-(dimethylamino)propyl]-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(3-fluoroanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C15H20FN7O2 MolecularWeight: 349.363403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)F)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)F)[N+](=O)[O-])N

InChI

InChI=1S/C15H20FN7O2/c1-22(2)8-4-7-18-15-20-13(17)12(23(24)25)14(21-15)19-11-6-3-5-10(16)9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H4,17,18,19,20,21)