2-pyrimidin-2-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: 2-pyrimidin-2-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: 2-pyrimidin-2-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: 2-(2-pyrimidinyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: 2-pyrimidin-2-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: 2-(2-pyrimidyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)C2=NC=CC=N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C#N)C2=NC=CC=N2

InChI

InChI=1S/C15H15N3O3/c1-19-12-7-10(8-13(20-2)14(12)21-3)11(9-16)15-17-5-4-6-18-15/h4-8,11H,1-3H3