3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-propan-2-ylsulfanyl-quinazolin-3-ium-4-amine

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-propan-2-ylsulfanyl-quinazolin-3-ium-4-amine Openeye Name: 3-[(2-chlorophenyl)methyl]-2-isopropylsulfanyl-6,7-dimethoxy-quinazolin-3-ium-4-amine CAS Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-(propan-2-ylthio)-4-quinazolin-3-iumamine IUPAC Name: 3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2-propan-2-ylsulfanylquinazolin-3-ium-4-amine Traditional Name: [3-(2-chlorobenzyl)-2-(isopropylthio)-6,7-dimethoxy-quinazolin-3-ium-4-yl]amine Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3Cl)N)OC)OC

Isomeric SMILES

CC(C)SC1=NC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3Cl)N)OC)OC

InChI

InChI=1S/C20H22ClN3O2S/c1-12(2)27-20-23-16-10-18(26-4)17(25-3)9-14(16)19(22)24(20)11-13-7-5-6-8-15(13)21/h5-10,12,22H,11H2,1-4H3/p+1