3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-phenyl-propanenitrile

Systemtic Name: 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-phenyl-propanenitrile Openeye Name: 3-(2,4-dioxopyrimidin-1-yl)-3-phenyl-propanenitrile CAS Name: 3-(2,4-dioxo-1-pyrimidinyl)-3-phenylpropanenitrile IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-3-phenylpropanenitrile Traditional Name: 3-(2,4-diketopyrimidin-1-yl)-3-phenyl-propionitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#N)N2C=CC(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(CC#N)N2C=CC(=O)NC2=O

InChI

InChI=1S/C13H11N3O2/c14-8-6-11(10-4-2-1-3-5-10)16-9-7-12(17)15-13(16)18/h1-5,7,9,11H,6H2,(H,15,17,18)