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

Systemtic Name: 3-[[5-[(cyclopropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-[(cyclopropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[5-[(cyclopropylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-[(cyclopropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[5-[(cyclopropylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Formula: C16H14F3N5 MolecularWeight: 333.31107

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1NCC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H14F3N5/c17-16(18,19)14-11(8-21-12-4-5-12)9-22-15(24-14)23-13-3-1-2-10(6-13)7-20/h1-3,6,9,12,21H,4-5,8H2,(H,22,23,24)