(E)-2-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4,6-dimethylpyrimidin-2-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4,6-dimethylpyrimidin-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4,6-dimethyl-2-pyrimidinyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4,6-dimethylpyrimidin-2-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4,6-dimethylpyrimidin-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(=CC2=CC(=C(C=C2)OC)O)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)/C(=C/C2=CC(=C(C=C2)OC)O)/C#N)C

InChI

InChI=1S/C16H15N3O2/c1-10-6-11(2)19-16(18-10)13(9-17)7-12-4-5-15(21-3)14(20)8-12/h4-8,20H,1-3H3/b13-7+