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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=C)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=C)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

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