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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SC)O)C3=C(N=C(NC3=O)SC)O

InChI

InChI=1S/C21H24N4O5S2/c1-4-5-10-30-12-8-6-11(7-9-12)13(14-16(26)22-20(31-2)23-17(14)27)15-18(28)24-21(32-3)25-19(15)29/h6-9,13H,4-5,10H2,1-3H3,(H2,22,23,26,27)(H2,24,25,28,29)