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

Systemtic Name: 5-hex-1-ynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-hex-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 5-hex-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione IUPAC Name: 5-hex-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione Traditional Name: 5-hex-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CN(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC#CC1=CN(C(=O)NC1=O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H18N2O4S/c1-3-4-5-6-7-14-12-19(17(21)18-16(14)20)24(22,23)15-10-8-13(2)9-11-15/h8-12H,3-5H2,1-2H3,(H,18,20,21)