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

Systemtic Name: 5-(2-butylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-butylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-(2-butylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-[2-(butylthio)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:

CCCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H25N3O3S2/c1-4-5-9-26-10-8-17-14(3)20-19(21-18(17)23)27-12-15-11-16(22(24)25)7-6-13(15)2/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,20,21,23)