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

Systemtic Name: N2-(2,5-dimethoxyphenyl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(2,5-dimethoxyphenyl)-N4-(2-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(2,5-dimethoxyphenyl)-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C18H17FN6O4 MolecularWeight: 400.363783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)NC3=CC=CC=C3F)[N+](=O)[O-])N

InChI

InChI=1S/C18H17FN6O4/c1-28-10-7-8-14(29-2)13(9-10)22-18-23-16(20)15(25(26)27)17(24-18)21-12-6-4-3-5-11(12)19/h3-9H,1-2H3,(H4,20,21,22,23,24)