N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: 3-[4-(2-pyrimidyl)piperazino]propyl-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C20H22F3N7 MolecularWeight: 417.43079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=NC=CC=N4

InChI

InChI=1S/C20H22F3N7/c21-20(22,23)18-27-16-6-2-1-5-15(16)17(28-18)24-9-4-10-29-11-13-30(14-12-29)19-25-7-3-8-26-19/h1-3,5-8H,4,9-14H2,(H,24,27,28)