O3-ethyl O6-methyl 5-methylsulfanyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 5-methylsulfanyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 5-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate CAS Name: 5-(methylthio)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 5-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate Traditional Name: 7-keto-5-(methylthio)-1H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C(=O)OC)SC

InChI

InChI=1S/C12H13N3O5S/c1-4-20-11(17)6-5-13-15-8(6)14-9(21-3)7(10(15)16)12(18)19-2/h5,13H,4H2,1-3H3