N6-(4-butylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C21H22F3N5 MolecularWeight: 401.42809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)N

InChI

InChI=1S/C21H22F3N5/c1-2-3-5-14-8-10-16(11-9-14)28-19-18(25)20(27-13-26-19)29-17-7-4-6-15(12-17)21(22,23)24/h4,6-13H,2-3,5,25H2,1H3,(H2,26,27,28,29)