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

Systemtic Name: 5-[(4-hydroxyphenyl)-(4-oxidanyl-6-oxidanylidene-2-propylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-2-propylsulfanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-hydroxy-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)-(4-hydroxyphenyl)methyl]-2-propylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[4-hydroxy-6-oxo-2-(propylthio)-1H-pyrimidin-5-yl]-(4-hydroxyphenyl)methyl]-2-(propylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-hydroxy-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)-(4-hydroxyphenyl)methyl]-2-propylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[[4-hydroxy-6-keto-2-(propylthio)-1H-pyrimidin-5-yl]-(4-hydroxyphenyl)methyl]-2-(propylthio)-1H-pyrimidin-6-one Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)O)C3=C(N=C(NC3=O)SCCC)O)O

Isomeric SMILES

CCCSC1=NC(=C(C(=O)N1)C(C2=CC=C(C=C2)O)C3=C(N=C(NC3=O)SCCC)O)O

InChI

InChI=1S/C21H24N4O5S2/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/h5-8,13,26H,3-4,9-10H2,1-2H3,(H2,22,23,27,28)(H2,24,25,29,30)