2-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-methyl-3-(trifluoromethyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile Formula: C13H8F3N3 MolecularWeight: 263.21793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC=C(C=N2)C#N)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC=C(C=N2)C#N)C(F)(F)F

InChI

InChI=1S/C13H8F3N3/c1-8-2-3-10(4-11(8)13(14,15)16)12-18-6-9(5-17)7-19-12/h2-4,6-7H,1H3