N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C17H16F3N7O3 MolecularWeight: 423.34925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C17H16F3N7O3/c18-17(19,20)30-13-4-2-12(3-5-13)25-16-14(27(28)29)15(23-10-24-16)22-6-1-8-26-9-7-21-11-26/h2-5,7,9-11H,1,6,8H2,(H2,22,23,24,25)