5-[(4-methylphenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-methylphenyl)-(2-methylsulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-(p-tolyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-hydroxy-2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]-(4-methylphenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-(4-methylphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[[4-hydroxy-6-keto-2-(methylthio)-1H-pyrimidin-5-yl]-(p-tolyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

InChI

InChI=1S/C18H18N4O4S2/c1-8-4-6-9(7-5-8)10(11-13(23)19-17(27-2)20-14(11)24)12-15(25)21-18(28-3)22-16(12)26/h4-7,10H,1-3H3,(H2,19,20,23,24)(H2,21,22,25,26)