N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H13ClF3N5O3 MolecularWeight: 439.77573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl)C

InChI

InChI=1S/C18H13ClF3N5O3/c1-9-3-10(2)5-12(4-9)30-17-14(27(28)29)16(24-8-25-17)26-15-13(19)6-11(7-23-15)18(20,21)22/h3-8H,1-2H3,(H,23,24,25,26)