2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-(2-isopentylsulfanylethylsulfanyl)-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[2-(3-methylbutylthio)ethylthio]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[2-(isoamylthio)ethylthio]-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCSCCC(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCSCCC(C)C)O

InChI

InChI=1S/C19H25N3O4S2/c1-12(2)6-7-27-8-9-28-19-20-17(23)16(18(24)21-19)11-14-10-15(22(25)26)5-4-13(14)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,23,24)