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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(methylthio)ethyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-5-[2-(methylthio)ethyl]-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-])CSC2=NC(=C(C(=O)N2)CCSC)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CCSC)O

InChI

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