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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: (3,5-dimethoxyphenyl)-[2-[(2-fluorobenzyl)thio]quinazolin-4-yl]amine Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=CC=C4F)OC

InChI

InChI=1S/C23H20FN3O2S/c1-28-17-11-16(12-18(13-17)29-2)25-22-19-8-4-6-10-21(19)26-23(27-22)30-14-15-7-3-5-9-20(15)24/h3-13H,14H2,1-2H3,(H,25,26,27)