5-[(4-hydroxyphenyl)-(4-oxidanyl-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-hydroxyphenyl)-(4-oxidanyl-6-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Openeye Name: 2-allylsulfanyl-5-[(2-allylsulfanyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-hydroxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-hydroxy-6-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-(4-hydroxyphenyl)methyl]-2-(prop-2-enylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-6-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-(4-hydroxyphenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Traditional Name: 2-(allylthio)-5-[[2-(allylthio)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]-(4-hydroxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)O)C3=C(N=C(NC3=O)SCC=C)O)O

Isomeric SMILES

C=CCSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)O)C3=C(N=C(NC3=O)SCC=C)O)O

InChI

InChI=1S/C21H20N4O5S2/c1-3-9-31-20-22-16(27)14(17(28)23-20)13(11-5-7-12(26)8-6-11)15-18(29)24-21(25-19(15)30)32-10-4-2/h3-8,13,26H,1-2,9-10H2,(H2,22,23,27,28)(H2,24,25,29,30)