4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-(oxan-4-yloxy)-1H-quinazolin-7-one

Systemtic Name: 4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-(oxan-4-yloxy)-1H-quinazolin-7-one Openeye Name: 4-(2-bromo-5-methoxy-anilino)-5-tetrahydropyran-4-yloxy-1H-quinazolin-7-one CAS Name: 4-(2-bromo-5-methoxyanilino)-5-(4-oxanyloxy)-1H-quinazolin-7-one IUPAC Name: 4-(2-bromo-5-methoxyanilino)-5-(oxan-4-yloxy)-1H-quinazolin-7-one Traditional Name: 4-(2-bromo-5-methoxy-anilino)-5-tetrahydropyran-4-yloxy-1H-quinazolin-7-one Formula: C20H20BrN3O4 MolecularWeight: 446.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)NC2=C3C(=CC(=O)C=C3OC4CCOCC4)NC=N2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)NC2=C3C(=CC(=O)C=C3OC4CCOCC4)NC=N2

InChI

InChI=1S/C20H20BrN3O4/c1-26-14-2-3-15(21)16(10-14)24-20-19-17(22-11-23-20)8-12(25)9-18(19)28-13-4-6-27-7-5-13/h2-3,8-11,13,24H,4-7H2,1H3,(H,22,23)