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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H12ClF3N6O2 MolecularWeight: 424.76439

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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)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N6O2/c18-13-4-3-11(6-12(13)17(19,20)21)26-16-14(27(28)29)15(24-9-25-16)23-8-10-2-1-5-22-7-10/h1-7,9H,8H2,(H2,23,24,25,26)