3-[[5-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[5-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-[(isobutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[5-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[5-[(isobutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Formula: C17H18F3N5 MolecularWeight: 349.35353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN=C(N=C1C(F)(F)F)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CNCC1=CN=C(N=C1C(F)(F)F)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18F3N5/c1-11(2)8-22-9-13-10-23-16(25-15(13)17(18,19)20)24-14-5-3-4-12(6-14)7-21/h3-6,10-11,22H,8-9H2,1-2H3,(H,23,24,25)