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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(pentylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(amylthio)ethyl]-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H27N3O3S2/c1-4-5-6-10-27-11-9-18-15(3)21-20(22-19(18)24)28-13-16-12-17(23(25)26)8-7-14(16)2/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,21,22,24)