(phenylmethyl) 7-[(3-cyanophenyl)amino]-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 7-[(3-cyanophenyl)amino]-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 7-(3-cyanoanilino)-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(3-cyanoanilino)-5-(methylthio)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(3-cyanoanilino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(3-cyanoanilino)-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=NN2C(=C1C(=O)OCC3=CC=CC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CSC1=NC2=CC=NN2C(=C1C(=O)OCC3=CC=CC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H17N5O2S/c1-30-21-19(22(28)29-14-15-6-3-2-4-7-15)20(27-18(26-21)10-11-24-27)25-17-9-5-8-16(12-17)13-23/h2-12,25H,14H2,1H3