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

Systemtic Name: N-(3-chlorophenyl)-5-[(3-methylbutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(isopentylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: N-(3-chlorophenyl)-5-[(3-methylbutylamino)methyl]-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-5-[(3-methylbutylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-isoamyl-amine Formula: C17H20ClF3N4 MolecularWeight: 372.81571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CCNCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClF3N4/c1-11(2)6-7-22-9-12-10-23-16(25-15(12)17(19,20)21)24-14-5-3-4-13(18)8-14/h3-5,8,10-11,22H,6-7,9H2,1-2H3,(H,23,24,25)