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

Systemtic Name: 2-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]acetic acid Formula: C15H15N3O5S MolecularWeight: 349.3617

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-8-3-4-11(18(22)23)5-10(8)7-24-15-16-9(2)12(6-13(19)20)14(21)17-15/h3-5H,6-7H2,1-2H3,(H,19,20)(H,16,17,21)