O-(6-imidazol-1-ylpyrimidin-4-yl) methanethioate

Systemtic Name: O-(6-imidazol-1-ylpyrimidin-4-yl) methanethioate Openeye Name: O-(6-imidazol-1-ylpyrimidin-4-yl) methanethioate CAS Name: methanethioic acid O-[6-(1-imidazolyl)-4-pyrimidinyl] ester IUPAC Name: O-(6-imidazol-1-ylpyrimidin-4-yl) methanethioate Traditional Name: methanethioic acid O-(6-imidazol-1-ylpyrimidin-4-yl) ester Formula: C8H6N4OS MolecularWeight: 206.22444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC(=NC=N2)OC=S

Isomeric SMILES

C1=CN(C=N1)C2=CC(=NC=N2)OC=S

InChI

InChI=1S/C8H6N4OS/c14-6-13-8-3-7(10-4-11-8)12-2-1-9-5-12/h1-6H