2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[(4-tert-butylphenyl)methylthio]-N-(3,5-dimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-[(4-tert-butylbenzyl)thio]quinazolin-4-yl]-(3,5-dimethoxyphenyl)amine Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)19-12-10-18(11-13-19)17-33-26-29-24-9-7-6-8-23(24)25(30-26)28-20-14-21(31-4)16-22(15-20)32-5/h6-16H,17H2,1-5H3,(H,28,29,30)