3-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Openeye Name: 3-[(5-bromo-2-hydroxy-phenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one CAS Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)-4-quinazolinone IUPAC Name: 3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Traditional Name: 3-[(5-bromo-2-hydroxy-benzyl)amino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one Formula: C24H22BrN3O5 MolecularWeight: 512.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2NCC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C24H22BrN3O5/c1-31-20-11-14(12-21(32-2)22(20)33-3)23-27-18-7-5-4-6-17(18)24(30)28(23)26-13-15-10-16(25)8-9-19(15)29/h4-12,26,29H,13H2,1-3H3