2-(4,6-dimethoxypyrimidin-2-yl)benzenecarbothioic S-acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)benzenecarbothioic S-acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)benzenecarbothioic S-acid CAS Name: 2-(4,6-dimethoxy-2-pyrimidinyl)benzenecarbothioic S-acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)benzenecarbothioic S-acid Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)thiobenzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=CC=CC=C2C(=O)S)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=CC=CC=C2C(=O)S)OC

InChI

InChI=1S/C13H12N2O3S/c1-17-10-7-11(18-2)15-12(14-10)8-5-3-4-6-9(8)13(16)19/h3-7H,1-2H3,(H,16,19)