6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-(o-tolylmethylsulfanyl)quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylthio]-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-2-[(2-methylbenzyl)thio]-3-p-anisyl-quinazolin-3-ium-4-yl]amine Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=C(C=C4)OC)N)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=C(C=C4)OC)N)OC)OC

InChI

InChI=1S/C26H27N3O3S/c1-17-7-5-6-8-19(17)16-33-26-28-22-14-24(32-4)23(31-3)13-21(22)25(27)29(26)15-18-9-11-20(30-2)12-10-18/h5-14,27H,15-16H2,1-4H3/p+1