6-(3,5-dimethylphenyl)carbonyl-1-[(E)-4-oxidanylbut-2-enyl]-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)carbonyl-1-[(E)-4-oxidanylbut-2-enyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylbenzoyl)-1-[(E)-4-hydroxybut-2-enyl]-5-isopropyl-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)-oxomethyl]-1-[(E)-4-hydroxybut-2-enyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylbenzoyl)-1-[(E)-4-hydroxybut-2-enyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzoyl)-1-[(E)-4-hydroxybut-2-enyl]-5-isopropyl-pyrimidine-2,4-quinone Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC=CCO)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2C/C=C/CO)C(C)C)C

InChI

InChI=1S/C20H24N2O4/c1-12(2)16-17(18(24)15-10-13(3)9-14(4)11-15)22(7-5-6-8-23)20(26)21-19(16)25/h5-6,9-12,23H,7-8H2,1-4H3,(H,21,25,26)/b6-5+