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

Systemtic Name: 3-[[5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-yl]amino]benzonitrile Formula: C17H16F3N5 MolecularWeight: 347.33765

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16F3N5/c18-17(19,20)15-13(9-22-8-11-4-5-11)10-23-16(25-15)24-14-3-1-2-12(6-14)7-21/h1-3,6,10-11,22H,4-5,8-9H2,(H,23,24,25)