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

Systemtic Name: 5-[(4-chlorophenyl)-(4-oxidanyl-6-oxidanylidene-2-propylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-oxidanyl-2-propylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-chlorophenyl)-(4-hydroxy-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(4-chlorophenyl)-[4-hydroxy-6-oxo-2-(propylthio)-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(propylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(4-chlorophenyl)-(4-hydroxy-6-oxo-2-propylsulfanyl-1H-pyrimidin-5-yl)methyl]-4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-[(4-chlorophenyl)-[4-hydroxy-6-keto-2-(propylthio)-1H-pyrimidin-5-yl]methyl]-4-hydroxy-2-(propylthio)-1H-pyrimidin-6-one Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S2/c1-3-9-31-20-23-16(27)14(17(28)24-20)13(11-5-7-12(22)8-6-11)15-18(29)25-21(26-19(15)30)32-10-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H2,23,24,27,28)(H2,25,26,29,30)