2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-6,7-dimethoxy-quinazolin-3-ium-4-amine

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-6,7-dimethoxy-quinazolin-3-ium-4-amine Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(2-furylmethyl)-6,7-dimethoxy-quinazolin-3-ium-4-amine CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(2-furanylmethyl)-6,7-dimethoxy-4-quinazolin-3-iumamine IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-6,7-dimethoxyquinazolin-3-ium-4-amine Traditional Name: [2-[(2-chloro-6-fluoro-benzyl)thio]-3-(2-furfuryl)-6,7-dimethoxy-quinazolin-3-ium-4-yl]amine Formula: C22H20ClFN3O3S+ MolecularWeight: 460.928903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CO4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CO4)N)OC

InChI

InChI=1S/C22H19ClFN3O3S/c1-28-19-9-14-18(10-20(19)29-2)26-22(27(21(14)25)11-13-5-4-8-30-13)31-12-15-16(23)6-3-7-17(15)24/h3-10,25H,11-12H2,1-2H3/p+1