methyl 3-pyrimidin-2-yl-2-sulfanylidene-1H-imidazole-5-carboxylate

Systemtic Name: methyl 3-pyrimidin-2-yl-2-sulfanylidene-1H-imidazole-5-carboxylate Openeye Name: methyl 3-pyrimidin-2-yl-2-thioxo-1H-imidazole-5-carboxylate CAS Name: 3-(2-pyrimidinyl)-2-sulfanylidene-1H-imidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-pyrimidin-2-yl-2-sulfanylidene-1H-imidazole-5-carboxylate Traditional Name: 1-(2-pyrimidyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O2S/c1-15-7(14)6-5-13(9(16)12-6)8-10-3-2-4-11-8/h2-5H,1H3,(H,12,16)