2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-N-[4-(trifluoromethyloxy)phenyl]quinazolin-4-amine

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-N-[4-(trifluoromethyloxy)phenyl]quinazolin-4-amine Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]-4-quinazolinamine IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine Traditional Name: [2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C24H22F3N7O MolecularWeight: 481.47299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OC(F)(F)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OC(F)(F)F)C5=NC=CC=N5

InChI

InChI=1S/C24H22F3N7O/c25-24(26,27)35-18-8-6-17(7-9-18)30-22-19-4-1-2-5-20(19)31-21(32-22)16-33-12-14-34(15-13-33)23-28-10-3-11-29-23/h1-11H,12-16H2,(H,30,31,32)