1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C19H17F3N6OS MolecularWeight: 434.43809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C19H17F3N6OS/c20-19(21,22)17-25-14-5-2-1-4-13(14)16(26-17)30-12-15(29)27-8-10-28(11-9-27)18-23-6-3-7-24-18/h1-7H,8-12H2