5-[[4-butyl-6-(2-hydroxyethyloxy)-2-methyl-pyrimidin-5-yl]methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[[4-butyl-6-(2-hydroxyethyloxy)-2-methyl-pyrimidin-5-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[4-butyl-6-(2-hydroxyethoxy)-2-methyl-pyrimidin-5-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[4-butyl-6-(2-hydroxyethoxy)-2-methyl-5-pyrimidinyl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[4-butyl-6-(2-hydroxyethoxy)-2-methylpyrimidin-5-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[4-butyl-6-(2-hydroxyethoxy)-2-methyl-pyrimidin-5-yl]methyl]-2-phenyl-benzonitrile Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)OCCO)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)OCCO)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H27N3O2/c1-3-4-10-24-23(25(30-14-13-29)28-18(2)27-24)16-19-11-12-22(21(15-19)17-26)20-8-6-5-7-9-20/h5-9,11-12,15,29H,3-4,10,13-14,16H2,1-2H3