4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfanyl-quinazoline

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfanyl-quinazoline Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-methylsulfanyl-quinazoline CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-(methylthio)quinazoline IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfanylquinazoline Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-(methylthio)quinazoline Formula: C19H17ClF3N5S MolecularWeight: 439.88499

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3N5S/c1-29-18-25-15-5-3-2-4-13(15)16(26-18)27-6-8-28(9-7-27)17-14(20)10-12(11-24-17)19(21,22)23/h2-5,10-11H,6-9H2,1H3