methyl 6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: methyl 6-cyano-5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: methyl 7-(benzylamino)-6-cyano-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 6-cyano-5-(methylthio)-7-[(phenylmethyl)amino]-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-(benzylamino)-6-cyano-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-(benzylamino)-6-cyano-5-(methylthio)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)SC

Isomeric SMILES

COC(=O)C1=NN2C(=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)SC

InChI

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