2-[2-[4-[2-(6-oxidanylidene-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[4-[2-(6-oxidanylidene-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[4-[2-(6-keto-1H-pyrimidin-5-yl)ethynyl]phenyl]ethynyl]-1H-pyrimidin-6-one Formula: C18H10N4O2 MolecularWeight: 314.2976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CN=CNC2=O)C#CC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CN=CNC2=O)C#CC3=NC=CC(=O)N3

InChI

InChI=1S/C18H10N4O2/c23-17-9-10-20-16(22-17)8-6-14-3-1-13(2-4-14)5-7-15-11-19-12-21-18(15)24/h1-4,9-12H,(H,19,21,24)(H,20,22,23)