(4-azanylquinazolin-2-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H20BrN3O4 MolecularWeight: 446.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OC

InChI

InChI=1S/C20H20BrN3O4/c1-3-8-27-18-14(21)9-12(10-16(18)26-2)20(25)28-11-17-23-15-7-5-4-6-13(15)19(22)24-17/h4-7,9-10H,3,8,11H2,1-2H3,(H2,22,23,24)