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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-propylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-propylsulfanylethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(propylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-propylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-5-[2-(propylthio)ethyl]-1H-pyrimidin-4-one Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCCSCCC1=C(NC(=NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H23N3O3S2/c1-4-8-25-9-7-16-13(3)19-18(20-17(16)22)26-11-14-10-15(21(23)24)6-5-12(14)2/h5-6,10H,4,7-9,11H2,1-3H3,(H,19,20,22)