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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[(4-chlorophenyl)methylthio]-N-(3,5-dimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-[(4-chlorobenzyl)thio]quinazolin-4-yl]-(3,5-dimethoxyphenyl)amine Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C23H20ClN3O2S/c1-28-18-11-17(12-19(13-18)29-2)25-22-20-5-3-4-6-21(20)26-23(27-22)30-14-15-7-9-16(24)10-8-15/h3-13H,14H2,1-2H3,(H,25,26,27)