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

Systemtic Name: 2-(2-hexylsulfanylethylsulfanyl)-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(2-hexylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(hexylthio)ethylthio]-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-(2-hexylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(hexylthio)ethylthio]-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCCCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C20H27N3O4S2/c1-3-4-5-6-9-28-10-11-29-20-21-18(24)17(19(25)22-20)13-15-12-16(23(26)27)8-7-14(15)2/h7-8,12H,3-6,9-11,13H2,1-2H3,(H2,21,22,24,25)