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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynyl-pyrimidine-2,4-dione Openeye Name: 5-oct-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynylpyrimidine-2,4-dione IUPAC Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynylpyrimidine-2,4-dione Traditional Name: 5-oct-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-3-4-5-6-7-8-9-16-14-21(19(23)20-18(16)22)26(24,25)17-12-10-15(2)11-13-17/h10-14H,3-7H2,1-2H3,(H,20,22,23)