2-chloranyl-5-(phenylmethyl)-4-(trifluoromethyl)pyrimidine; methanamide

Systemtic Name: 2-chloranyl-5-(phenylmethyl)-4-(trifluoromethyl)pyrimidine; methanamide Openeye Name: 5-benzyl-2-chloro-4-(trifluoromethyl)pyrimidine; formamide CAS Name: 2-chloro-5-(phenylmethyl)-4-(trifluoromethyl)pyrimidine; formamide IUPAC Name: 5-benzyl-2-chloro-4-(trifluoromethyl)pyrimidine; formamide Traditional Name: 5-benzyl-2-chloro-4-(trifluoromethyl)pyrimidine; formamide Formula: C13H11ClF3N3O MolecularWeight: 317.69415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C(N=C2C(F)(F)F)Cl.C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C(N=C2C(F)(F)F)Cl.C(=O)N

InChI

InChI=1S/C12H8ClF3N2.CH3NO/c13-11-17-7-9(10(18-11)12(14,15)16)6-8-4-2-1-3-5-8;2-1-3/h1-5,7H,6H2;1H,(H2,2,3)