N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine hydrochloride Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine hydrochloride CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-pyrazinyl)-6-(trifluoromethyl)-4-pyrimidinamine hydrochloride IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine hydrochloride Traditional Name: (4-chloro-2,5-dimethoxy-phenyl)-[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amine hydrochloride Formula: C17H14Cl2F3N5O2 MolecularWeight: 448.22657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC(=NC(=C2)C(F)(F)F)C3=NC=CN=C3)OC)Cl.Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC(=NC(=C2)C(F)(F)F)C3=NC=CN=C3)OC)Cl.Cl

InChI

InChI=1S/C17H13ClF3N5O2.ClH/c1-27-12-6-10(13(28-2)5-9(12)18)24-15-7-14(17(19,20)21)25-16(26-15)11-8-22-3-4-23-11;/h3-8H,1-2H3,(H,24,25,26);1H