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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3N5O3/c1-2-10-3-5-12(6-4-10)30-17-14(27(28)29)16(24-9-25-17)26-15-13(19)7-11(8-23-15)18(20,21)22/h3-9H,2H2,1H3,(H,23,24,25,26)