(4-azanylquinazolin-2-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C20H18BrN3O4/c1-27-17-8-6-12(21)10-14(17)16(25)7-9-19(26)28-11-18-23-15-5-3-2-4-13(15)20(22)24-18/h2-6,8,10H,7,9,11H2,1H3,(H2,22,23,24)