2-[2,6-bis(chloranyl)-5-ethyl-pyrimidin-4-yl]-2-(3,5-dimethylphenyl)ethanenitrile

Systemtic Name: 2-[2,6-bis(chloranyl)-5-ethyl-pyrimidin-4-yl]-2-(3,5-dimethylphenyl)ethanenitrile Openeye Name: 2-(2,6-dichloro-5-ethyl-pyrimidin-4-yl)-2-(3,5-dimethylphenyl)acetonitrile CAS Name: 2-(2,6-dichloro-5-ethyl-4-pyrimidinyl)-2-(3,5-dimethylphenyl)acetonitrile IUPAC Name: 2-(2,6-dichloro-5-ethylpyrimidin-4-yl)-2-(3,5-dimethylphenyl)acetonitrile Traditional Name: 2-(2,6-dichloro-5-ethyl-pyrimidin-4-yl)-2-(3,5-dimethylphenyl)acetonitrile Formula: C16H15Cl2N3 MolecularWeight: 320.2164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1Cl)Cl)C(C#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1Cl)Cl)C(C#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H15Cl2N3/c1-4-12-14(20-16(18)21-15(12)17)13(8-19)11-6-9(2)5-10(3)7-11/h5-7,13H,4H2,1-3H3