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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

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