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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-[2-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-isobutylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(2-methylpropylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-[2-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(isobutylthio)ethyl]-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-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-])CSC2=NC(=O)C(=C(N2)C)CCSCC(C)C

Isomeric SMILES

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

InChI

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