N-(3-chlorophenyl)-5-[(piperidin-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: N-(3-chlorophenyl)-5-[(piperidin-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(4-piperidylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(4-piperidinylmethylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(piperidin-4-ylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-(4-piperidylmethyl)amine Formula: C18H21ClF3N5 MolecularWeight: 399.84105

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CNCCC1CNCC2=CN=C(N=C2C(F)(F)F)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClF3N5/c19-14-2-1-3-15(8-14)26-17-25-11-13(16(27-17)18(20,21)22)10-24-9-12-4-6-23-7-5-12/h1-3,8,11-12,23-24H,4-7,9-10H2,(H,25,26,27)