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

Systemtic Name: 2-(2-butylsulfanylethylsulfanyl)-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(2-butylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(butylthio)ethylthio]-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-(2-butylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(butylthio)ethylthio]-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C18H23N3O4S2/c1-3-4-7-26-8-9-27-18-19-16(22)15(17(23)20-18)11-13-10-14(21(24)25)6-5-12(13)2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H2,19,20,22,23)