5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [4-amino-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methylamine Formula: C18H13Cl2F3N4 MolecularWeight: 413.22383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=N2)N)CN)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=N2)N)CN)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C18H13Cl2F3N4/c19-11-5-6-12(14(20)7-11)15-13(8-24)16(25)27-17(26-15)9-1-3-10(4-2-9)18(21,22)23/h1-7H,8,24H2,(H2,25,26,27)