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

Systemtic Name: 5-(2-ethylsulfanylethyl)-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-(2-ethylsulfanylethyl)-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[2-(ethylthio)ethyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-(2-ethylsulfanylethyl)-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-[2-(ethylthio)ethyl]-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCSCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C16H19N3O4S2/c1-3-24-7-6-13-14(20)17-16(18-15(13)21)25-9-11-8-12(19(22)23)5-4-10(11)2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,17,18,20,21)