4-[5-(5-heptylpyrimidin-2-yl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(5-heptylpyrimidin-2-yl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(5-heptylpyrimidin-2-yl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(5-heptyl-2-pyrimidinyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(5-heptylpyrimidin-2-yl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(5-heptylpyrimidin-2-yl)pyrimidin-2-yl]benzonitrile Formula: C22H23N5 MolecularWeight: 357.45152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N5/c1-2-3-4-5-6-7-18-13-24-22(25-14-18)20-15-26-21(27-16-20)19-10-8-17(12-23)9-11-19/h8-11,13-16H,2-7H2,1H3