5-[(4-methylphenyl)-(4-oxidanidyl-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)methyl]-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate

Systemtic Name: 5-[(4-methylphenyl)-(4-oxidanidyl-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)methyl]-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-[(2-allylsulfanyl-4-oxido-6-oxo-1H-pyrimidin-5-yl)-(p-tolyl)methyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(4-methylphenyl)-[4-oxido-6-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]methyl]-6-oxo-2-(prop-2-enylthio)-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-methylphenyl)-(4-oxido-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)methyl]-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-4-olate Traditional Name: 2-(allylthio)-5-[[2-(allylthio)-6-keto-4-oxido-1H-pyrimidin-5-yl]-(p-tolyl)methyl]-6-keto-1H-pyrimidin-4-olate Formula: C22H20N4O4S2-2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC=C)[O-])C3=C(N=C(NC3=O)SCC=C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC=C)[O-])C3=C(N=C(NC3=O)SCC=C)[O-]

InChI

InChI=1S/C22H22N4O4S2/c1-4-10-31-21-23-17(27)15(18(28)24-21)14(13-8-6-12(3)7-9-13)16-19(29)25-22(26-20(16)30)32-11-5-2/h4-9,14H,1-2,10-11H2,3H3,(H2,23,24,27,28)(H2,25,26,29,30)/p-2