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

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-[2-(2-methylpropylsulfanyl)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-(2-isobutylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(2-methylpropylthio)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(2-methylpropylsulfanyl)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(isobutylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-12(2)11-26-7-8-27-19-20-14(4)17(18(23)21-19)10-15-9-16(22(24)25)6-5-13(15)3/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,20,21,23)