3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-(2,4,5-trimethoxybenzyl)propionamide Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)OC)OC

InChI

InChI=1S/C21H22BrN3O5/c1-28-17-10-19(30-3)18(29-2)8-13(17)11-23-20(26)6-7-25-12-24-16-5-4-14(22)9-15(16)21(25)27/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,23,26)