(phenylmethyl) 5-methylsulfanyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methylsulfanyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-(methylthio)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-5-(methylthio)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C(=N1)C=CN2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C(=O)N2C(=N1)C=CN2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-22-13-12(14(19)18-11(17-13)7-8-16-18)15(20)21-9-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3