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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(methylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-methylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-5-[2-(methylthio)ethyl]-1H-pyrimidin-4-one Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-10-4-5-13(19(21)22)8-12(10)9-24-16-17-11(2)14(6-7-23-3)15(20)18-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18,20)