4-[[2-[3,5-bis(chloranyl)phenyl]-6-propan-2-yl-pyrimidin-4-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[3,5-bis(chloranyl)phenyl]-6-propan-2-yl-pyrimidin-4-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[2-(3,5-dichlorophenyl)-6-isopropyl-pyrimidin-4-yl]oxymethyl]benzonitrile CAS Name: 4-[[2-(3,5-dichlorophenyl)-6-propan-2-yl-4-pyrimidinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[2-(3,5-dichlorophenyl)-6-propan-2-ylpyrimidin-4-yl]oxymethyl]benzonitrile Traditional Name: 4-[[2-(3,5-dichlorophenyl)-6-isopropyl-pyrimidin-4-yl]oxymethyl]benzonitrile Formula: C21H17Cl2N3O MolecularWeight: 398.28518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)C2=CC(=CC(=C2)Cl)Cl)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)C2=CC(=CC(=C2)Cl)Cl)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17Cl2N3O/c1-13(2)19-10-20(27-12-15-5-3-14(11-24)4-6-15)26-21(25-19)16-7-17(22)9-18(23)8-16/h3-10,13H,12H2,1-2H3