3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-3-homoveratryl-quinazolin-4-one Formula: C25H23FN2O3S MolecularWeight: 450.525123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4F)OC

InChI

InChI=1S/C25H23FN2O3S/c1-30-22-12-11-17(15-23(22)31-2)13-14-28-24(29)19-8-4-6-10-21(19)27-25(28)32-16-18-7-3-5-9-20(18)26/h3-12,15H,13-14,16H2,1-2H3