5-ethynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione

Systemtic Name: 5-ethynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-ethynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 5-ethynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione IUPAC Name: 5-ethynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione Traditional Name: 5-ethynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)C#C

InChI

InChI=1S/C13H10N2O4S/c1-3-10-8-15(13(17)14-12(10)16)20(18,19)11-6-4-9(2)5-7-11/h1,4-8H,2H3,(H,14,16,17)