6-methyl-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(2-isopentylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-(3-methylbutylthio)ethylthio]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-(3-methylbutylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(isoamylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-13(2)7-8-27-9-10-28-20-21-15(4)18(19(24)22-20)12-16-11-17(23(25)26)6-5-14(16)3/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,22,24)