2-[6-methyl-3-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-3-(3-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-3-(3-nitrophenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-3-(3-nitrophenyl)-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5S/c1-7-10(6-11(17)18)12(19)15(13(22)14-7)8-3-2-4-9(5-8)16(20)21/h2-5H,6H2,1H3,(H,14,22)(H,17,18)