3-(6-oxidanylidene-1-prop-2-ynyl-pyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 3-(6-oxidanylidene-1-prop-2-ynyl-pyrimidin-2-yl)benzenecarbonitrile Openeye Name: 3-(6-oxo-1-prop-2-ynyl-pyrimidin-2-yl)benzonitrile CAS Name: 3-(6-oxo-1-prop-2-ynyl-2-pyrimidinyl)benzonitrile IUPAC Name: 3-(6-oxo-1-prop-2-ynylpyrimidin-2-yl)benzonitrile Traditional Name: 3-(6-keto-1-propargyl-pyrimidin-2-yl)benzonitrile Formula: C14H9N3O MolecularWeight: 235.24076

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C=CN=C1C2=CC=CC(=C2)C#N

Isomeric SMILES

C#CCN1C(=O)C=CN=C1C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H9N3O/c1-2-8-17-13(18)6-7-16-14(17)12-5-3-4-11(9-12)10-15/h1,3-7,9H,8H2