(E)-3-[3-[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-phenyl]prop-2-enenitrile

Systemtic Name: (E)-3-[3-[3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-phenyl]prop-2-enenitrile Openeye Name: (E)-3-[3-(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-phenyl]prop-2-enenitrile CAS Name: (E)-3-[3-[(3-ethyl-2,6-dioxo-5-propan-2-yl-4-pyrimidinyl)-oxomethyl]-5-methylphenyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylphenyl]prop-2-enenitrile Traditional Name: (E)-3-[3-(3-ethyl-5-isopropyl-2,6-diketo-pyrimidine-4-carbonyl)-5-methyl-phenyl]acrylonitrile Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C=CC#N)C

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)/C=C/C#N)C

InChI

InChI=1S/C20H21N3O3/c1-5-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-10-13(4)9-14(11-15)7-6-8-21/h6-7,9-12H,5H2,1-4H3,(H,22,25,26)/b7-6+