methyl 4-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 4-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 4-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-sulfanylidene-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-thioxo-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C6H6N2O2S MolecularWeight: 170.18904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=S)N=CN1

Isomeric SMILES

COC(=O)C1=CC(=S)N=CN1

InChI

InChI=1S/C6H6N2O2S/c1-10-6(9)4-2-5(11)8-3-7-4/h2-3H,1H3,(H,7,8,11)