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

Systemtic Name: ethyl 4-[(6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2S/c1-3-24-17(23)11-4-6-12(7-5-11)20-15-13(10-18)16(25-2)21-14-8-9-19-22(14)15/h4-9,20H,3H2,1-2H3