N-(2-methyl-5-nitro-phenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-(2-methyl-5-nitrophenyl)-2-(3-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: (2-methyl-5-nitro-phenyl)-[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C17H12F3N5O2 MolecularWeight: 375.30469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3

InChI

InChI=1S/C17H12F3N5O2/c1-10-4-5-12(25(26)27)7-13(10)22-15-8-14(17(18,19)20)23-16(24-15)11-3-2-6-21-9-11/h2-9H,1H3,(H,22,23,24)