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

Systemtic Name: ethyl 5-methylsulfanyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(benzylamino)-5-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-(methylthio)-7-[(phenylmethyl)amino]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(benzylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(benzylamino)-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N2C(=CC=N2)N=C1SC)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-3-23-17(22)14-15(18-11-12-7-5-4-6-8-12)21-13(9-10-19-21)20-16(14)24-2/h4-10,18H,3,11H2,1-2H3