(3Z)-2,4-bis(oxidanylidene)-6-phenyl-3-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1-carbonitrile

Systemtic Name: (3Z)-2,4-bis(oxidanylidene)-6-phenyl-3-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1-carbonitrile Openeye Name: (3Z)-2,4-dioxo-6-phenyl-3-[(pyrimidin-2-ylamino)methylene]cyclohexanecarbonitrile CAS Name: (3Z)-2,4-dioxo-6-phenyl-3-[(2-pyrimidinylamino)methylidene]-1-cyclohexanecarbonitrile IUPAC Name: (3Z)-2,4-dioxo-6-phenyl-3-[(pyrimidin-2-ylamino)methylidene]cyclohexane-1-carbonitrile Traditional Name: (3Z)-2,4-diketo-6-phenyl-3-[(2-pyrimidylamino)methylene]cyclohexanecarbonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C(=CNC2=NC=CC=N2)C1=O)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(C(C(=O)/C(=C\NC2=NC=CC=N2)/C1=O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O2/c19-10-14-13(12-5-2-1-3-6-12)9-16(23)15(17(14)24)11-22-18-20-7-4-8-21-18/h1-8,11,13-14H,9H2,(H,20,21,22)/b15-11-