4-azanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-[3-(trifluoromethyl)benzyl]-1H-quinazolin-3-ium-2-thione Formula: C18H17F3N3O2S+ MolecularWeight: 396.40669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC(=CC=C3)C(F)(F)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC(=CC=C3)C(F)(F)F)N)OC

InChI

InChI=1S/C18H16F3N3O2S/c1-25-14-7-12-13(8-15(14)26-2)23-17(27)24(16(12)22)9-10-4-3-5-11(6-10)18(19,20)21/h3-8H,9H2,1-2H3,(H2,22,23,27)/p+1