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

Systemtic Name: 5-hept-1-ynyl-1-(4-methylphenyl)sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-hept-1-ynyl-1-(p-tolylsulfonyl)pyrimidine-2,4-dione CAS Name: 5-hept-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione IUPAC Name: 5-hept-1-ynyl-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione Traditional Name: 5-hept-1-ynyl-1-tosyl-pyrimidine-2,4-quinone Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-3-4-5-6-7-8-15-13-20(18(22)19-17(15)21)25(23,24)16-11-9-14(2)10-12-16/h9-13H,3-6H2,1-2H3,(H,19,21,22)