6,7-dimethoxy-3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-(2-thienylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylthio]-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-3-(2-thenyl)-2-[[4-(trifluoromethyl)benzyl]thio]quinazolin-3-ium-4-yl]amine Formula: C23H21F3N3O2S2+ MolecularWeight: 492.55695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CC=C(C=C3)C(F)(F)F)CC4=CC=CS4)N)OC

InChI

InChI=1S/C23H20F3N3O2S2/c1-30-19-10-17-18(11-20(19)31-2)28-22(29(21(17)27)12-16-4-3-9-32-16)33-13-14-5-7-15(8-6-14)23(24,25)26/h3-11,27H,12-13H2,1-2H3/p+1