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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-non-1-ynyl-pyrimidine-2,4-dione Openeye Name: 5-non-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 1-(4-methylphenyl)sulfonyl-5-non-1-ynylpyrimidine-2,4-dione IUPAC Name: 1-(4-methylphenyl)sulfonyl-5-non-1-ynylpyrimidine-2,4-dione Traditional Name: 5-non-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-3-4-5-6-7-8-9-10-17-15-22(20(24)21-19(17)23)27(25,26)18-13-11-16(2)12-14-18/h11-15H,3-8H2,1-2H3,(H,21,23,24)