phenyl 2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(6-bromo-4-oxo-quinazolin-3-yl)ethanesulfonate CAS Name: 2-(6-bromo-4-oxo-3-quinazolinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(6-bromo-4-oxoquinazolin-3-yl)ethanesulfonate Traditional Name: 2-(6-bromo-4-keto-quinazolin-3-yl)ethanesulfonic acid phenyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2O4S/c17-12-6-7-15-14(10-12)16(20)19(11-18-15)8-9-24(21,22)23-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2