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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-3-homoveratryl-quinazolin-4-one Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C25H23BrN2O3S/c1-30-22-11-10-17(15-23(22)31-2)12-13-28-24(29)20-8-3-4-9-21(20)27-25(28)32-16-18-6-5-7-19(26)14-18/h3-11,14-15H,12-13,16H2,1-2H3