6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-(benzylamino)-6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-cyano-5-(methylthio)-7-[(phenylmethyl)amino]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-(benzylamino)-6-cyano-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-(benzylamino)-6-cyano-5-(methylthio)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=C1C#N)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H13N5O2S/c1-24-15-11(7-17)13(18-8-10-5-3-2-4-6-10)21-14(20-15)12(9-19-21)16(22)23/h2-6,9,18H,8H2,1H3,(H,22,23)