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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-3-ium-4-amine Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-3-ium-4-amine CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-quinazolin-3-iumamine IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]quinazolin-3-ium-4-amine Traditional Name: [2-[(4-tert-butylbenzyl)thio]-6,7-dimethoxy-3-p-anisyl-quinazolin-3-ium-4-yl]amine Formula: C29H34N3O3S+ MolecularWeight: 504.66356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=C(C=C4)OC)N)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3C(=[N+]2CC4=CC=C(C=C4)OC)N)OC)OC

InChI

InChI=1S/C29H33N3O3S/c1-29(2,3)21-11-7-20(8-12-21)18-36-28-31-24-16-26(35-6)25(34-5)15-23(24)27(30)32(28)17-19-9-13-22(33-4)14-10-19/h7-16,30H,17-18H2,1-6H3/p+1