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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)N=C(N2)C(=CC3=CC=NC=C3)C#N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)N=C(N2)/C(=C/C3=CC=NC=C3)/C#N

InChI

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