1-but-2-ynyl-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 1-but-2-ynyl-6-(3,5-dimethylphenyl)carbonyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-but-2-ynyl-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione CAS Name: 1-but-2-ynyl-6-[(3,5-dimethylphenyl)-oxomethyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-but-2-ynyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-but-2-ynyl-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-quinone Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-6-7-8-22-17(16(12(2)3)19(24)21-20(22)25)18(23)15-10-13(4)9-14(5)11-15/h9-12H,8H2,1-5H3,(H,21,24,25)