N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C22H14ClF3N6O3 MolecularWeight: 502.83317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=N4)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClF3N6O3/c23-17-10-13(22(24,25)26)11-27-19(17)31-21-18(32(33)34)20(28-12-29-21)30-14-6-8-16(9-7-14)35-15-4-2-1-3-5-15/h1-12H,(H2,27,28,29,30,31)