4-methyl-6-(2-methylbutyl)-5-[2,4,6-tris(fluoranyl)phenyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-methyl-6-(2-methylbutyl)-5-[2,4,6-tris(fluoranyl)phenyl]pyrimidine-2-carbonitrile Openeye Name: 4-methyl-6-(2-methylbutyl)-5-(2,4,6-trifluorophenyl)pyrimidine-2-carbonitrile CAS Name: 4-methyl-6-(2-methylbutyl)-5-(2,4,6-trifluorophenyl)-2-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(2-methylbutyl)-5-(2,4,6-trifluorophenyl)pyrimidine-2-carbonitrile Traditional Name: 4-methyl-6-(2-methylbutyl)-5-(2,4,6-trifluorophenyl)pyrimidine-2-carbonitrile Formula: C17H16F3N3 MolecularWeight: 319.32425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=NC(=NC(=C1C2=C(C=C(C=C2F)F)F)C)C#N

Isomeric SMILES

CCC(C)CC1=NC(=NC(=C1C2=C(C=C(C=C2F)F)F)C)C#N

InChI

InChI=1S/C17H16F3N3/c1-4-9(2)5-14-16(10(3)22-15(8-21)23-14)17-12(19)6-11(18)7-13(17)20/h6-7,9H,4-5H2,1-3H3