6,7-dimethoxy-2-(pyridin-4-ylmethylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-2-(pyridin-4-ylmethylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Openeye Name: 6,7-dimethoxy-2-(4-pyridylmethylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-(pyridin-4-ylmethylthio)-3-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-(pyridin-4-ylmethylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-imine Traditional Name: [6,7-dimethoxy-2-(4-pyridylmethylthio)-3-[3-(trifluoromethyl)benzyl]quinazolin-4-ylidene]amine Formula: C24H21F3N4O2S MolecularWeight: 486.50935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=NC=C3)CC4=CC(=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=NC=C3)CC4=CC(=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C24H21F3N4O2S/c1-32-20-11-18-19(12-21(20)33-2)30-23(34-14-15-6-8-29-9-7-15)31(22(18)28)13-16-4-3-5-17(10-16)24(25,26)27/h3-12,28H,13-14H2,1-2H3