5-[(2-methyl-5-nitro-phenyl)methyl]-2-[2-(2-methylprop-2-enylsulfanyl)ethylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-2-[2-(2-methylprop-2-enylsulfanyl)ethylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[2-(2-methylallylsulfanyl)ethylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(2-methylprop-2-enylthio)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(2-methylprop-2-enylsulfanyl)ethylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[2-(2-methylallylthio)ethylthio]-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-11(2)10-26-6-7-27-18-19-16(22)15(17(23)20-18)9-13-8-14(21(24)25)5-4-12(13)3/h4-5,8H,1,6-7,9-10H2,2-3H3,(H2,19,20,22,23)