5-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-2-hydroxy-benzoic acid CAS Name: 5-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-2-hydroxybenzoic acid IUPAC Name: 5-(6,6-dimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-2-hydroxybenzoic acid Traditional Name: 5-(6,6-dimethyl-2-thioxo-1H-pyrimidin-3-yl)-2-hydroxy-benzoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CN(C(=S)N1)C2=CC(=C(C=C2)O)C(=O)O)C

Isomeric SMILES

CC1(C=CN(C(=S)N1)C2=CC(=C(C=C2)O)C(=O)O)C

InChI

InChI=1S/C13H14N2O3S/c1-13(2)5-6-15(12(19)14-13)8-3-4-10(16)9(7-8)11(17)18/h3-7,16H,1-2H3,(H,14,19)(H,17,18)