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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(methylthio)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(2-methyl-5-nitro-benzyl)-2-[2-(methylthio)ethylthio]-1H-pyrimidin-6-one Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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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)SCCSC)O

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2/c1-9-3-4-11(18(21)22)7-10(9)8-12-13(19)16-15(17-14(12)20)24-6-5-23-2/h3-4,7H,5-6,8H2,1-2H3,(H2,16,17,19,20)