methyl 4-[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate

Systemtic Name: methyl 4-[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate Openeye Name: methyl 4-[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate CAS Name: 4-[[6-cyano-5-(methylthio)-7-pyrazolo[1,5-a]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-cyano-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate Traditional Name: 4-[[6-cyano-5-(methylthio)pyrazolo[1,5-a]pyrimidin-7-yl]amino]benzoic acid methyl ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC3=CC=NN32)SC)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC3=CC=NN32)SC)C#N

InChI

InChI=1S/C16H13N5O2S/c1-23-16(22)10-3-5-11(6-4-10)19-14-12(9-17)15(24-2)20-13-7-8-18-21(13)14/h3-8,19H,1-2H3