5-nitro-N6-(pyridin-3-ylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(pyridin-3-ylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(3-pyridylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(3-pyridinylmethyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H13F3N6O2 MolecularWeight: 390.31933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N6O2/c18-17(19,20)12-3-5-13(6-4-12)25-16-14(26(27)28)15(23-10-24-16)22-9-11-2-1-7-21-8-11/h1-8,10H,9H2,(H2,22,23,24,25)