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

Systemtic Name: methyl 4-[[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzoate CAS Name: 4-[[[6-cyano-5-(methylthio)-7-pyrazolo[1,5-a]pyrimidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-cyano-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]benzoate Traditional Name: 4-[[[6-cyano-5-(methylthio)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzoic acid methyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=NN32)SC)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=NN32)SC)C#N

InChI

InChI=1S/C17H15N5O2S/c1-24-17(23)12-5-3-11(4-6-12)10-19-15-13(9-18)16(25-2)21-14-7-8-20-22(14)15/h3-8,19H,10H2,1-2H3