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

Systemtic Name: ethyl 7-[(3-cyanophenyl)amino]-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NC3=CC=CC(=C3)C#N

InChI

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