(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-pyridin-3-yl-prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-pyridin-3-yl-prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3-pyridyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3-pyridinyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-pyridin-3-ylprop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(3-pyridyl)acrylonitrile Formula: C16H9BrN4O MolecularWeight: 353.17286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C16H9BrN4O/c17-12-3-4-14-13(7-12)16(22)21-15(20-14)11(8-18)6-10-2-1-5-19-9-10/h1-7,9H,(H,20,21,22)/b11-6+