2-[4-[(6-ethyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(6-ethyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(6-ethyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(6-ethyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(6-ethyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(6-ethyl-4-keto-2-methyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H19N3O/c1-3-20-19(21(25)24-14(2)23-20)12-15-8-10-16(11-9-15)18-7-5-4-6-17(18)13-22/h4-11H,3,12H2,1-2H3,(H,23,24,25)