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

Systemtic Name: 5-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-7-3-4-10(16(19)20)5-9(7)6-21-13-14-11(17)8(2)12(18)15-13/h3-5H,6H2,1-2H3,(H2,14,15,17,18)