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

Systemtic Name: 2-methyl-3-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 2-methyl-3-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 2-methyl-3-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 2-methyl-3-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]-2-methyl-propionic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-9-4-5-13(20(24)25)7-12(9)8-26-17-18-11(3)14(15(21)19-17)6-10(2)16(22)23/h4-5,7,10H,6,8H2,1-3H3,(H,22,23)(H,18,19,21)