N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H14ClF3N8O2 MolecularWeight: 442.78297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CN(C=N1)CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N8O2/c17-11-6-10(16(18,19)20)7-23-13(11)26-15-12(28(29)30)14(24-8-25-15)22-2-1-4-27-5-3-21-9-27/h3,5-9H,1-2,4H2,(H2,22,23,24,25,26)