2-[(4-fluorophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(3,4,5-trimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-[(4-fluorobenzyl)thio]quinazolin-4-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C24H22FN3O3S MolecularWeight: 451.513183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O3S/c1-29-20-12-17(13-21(30-2)22(20)31-3)26-23-18-6-4-5-7-19(18)27-24(28-23)32-14-15-8-10-16(25)11-9-15/h4-13H,14H2,1-3H3,(H,26,27,28)