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

Systemtic Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-isopentylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(3-methylbutylthio)ethyl]-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(isoamylthio)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:

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

Isomeric SMILES

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

InChI

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