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

Systemtic Name: 5-dec-1-ynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-dec-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 5-dec-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione IUPAC Name: 5-dec-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione Traditional Name: 5-dec-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-3-4-5-6-7-8-9-10-11-18-16-23(21(25)22-20(18)24)28(26,27)19-14-12-17(2)13-15-19/h12-16H,3-9H2,1-2H3,(H,22,24,25)