2-[3-[chloranyl(pyrimidin-5-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-[chloranyl(pyrimidin-5-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-[chloro(pyrimidin-5-yl)methyl]-5-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[chloro(5-pyrimidinyl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[chloro(pyrimidin-5-yl)methyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[chloro(5-pyrimidyl)methyl]-5-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propionitrile Formula: C19H19ClN4 MolecularWeight: 338.83396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)C(C2=CN=CN=C2)Cl)C(C)(C)C#N

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)C(C2=CN=CN=C2)Cl)C(C)(C)C#N

InChI

InChI=1S/C19H19ClN4/c1-18(2,10-21)15-5-13(6-16(7-15)19(3,4)11-22)17(20)14-8-23-12-24-9-14/h5-9,12,17H,1-4H3