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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-(2-methylallylsulfanyl)-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-methylprop-2-enylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-(2-methylallylthio)-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C16H17N3O4S MolecularWeight: 347.38888

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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)SCC(=C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-9(2)8-24-16-17-14(20)13(15(21)18-16)7-11-6-12(19(22)23)5-4-10(11)3/h4-6H,1,7-8H2,2-3H3,(H2,17,18,20,21)