5,5-bis[2-(2-methylprop-2-enylsulfanyl)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione

Systemtic Name: 5,5-bis[2-(2-methylprop-2-enylsulfanyl)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione Openeye Name: 5,5-bis[2-(2-methylallylsulfanyl)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione CAS Name: 5,5-bis[2-(2-methylprop-2-enylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione IUPAC Name: 5,5-bis[2-(2-methylprop-2-enylsulfanyl)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione Traditional Name: 5,5-bis[2-(2-methylallylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCC(=C)C

Isomeric SMILES

CC(=C)CSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCC(=C)C

InChI

InChI=1S/C22H28N2O2S2/c1-16(2)14-27-12-10-22(11-13-28-15-17(3)4)20(25)23-19(24-21(22)26)18-8-6-5-7-9-18/h5-9H,1,3,10-15H2,2,4H3,(H,23,24,25,26)