methyl 3-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: methyl 3-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: methyl 3-[4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-hydroxy-6-keto-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]propionic acid methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CCC(=O)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CCC(=O)OC)O

InChI

InChI=1S/C16H17N3O6S/c1-9-3-4-11(19(23)24)7-10(9)8-26-16-17-14(21)12(15(22)18-16)5-6-13(20)25-2/h3-4,7H,5-6,8H2,1-2H3,(H2,17,18,21,22)