4-(5-pyrimidin-2-ylpentan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-pyrimidin-2-ylpentan-2-yl)benzenecarbonitrile Openeye Name: 4-(1-methyl-4-pyrimidin-2-yl-butyl)benzonitrile CAS Name: 4-[5-(2-pyrimidinyl)pentan-2-yl]benzonitrile IUPAC Name: 4-(5-pyrimidin-2-ylpentan-2-yl)benzonitrile Traditional Name: 4-[1-methyl-4-(2-pyrimidyl)butyl]benzonitrile Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=NC=CC=N1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(CCCC1=NC=CC=N1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3/c1-13(15-8-6-14(12-17)7-9-15)4-2-5-16-18-10-3-11-19-16/h3,6-11,13H,2,4-5H2,1H3