ethyl 5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methylsulfanyl-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-(methylthio)-7-(pyridin-4-ylmethylamino)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-(methylthio)-7-(4-pyridylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-3-23-16(22)13-14(18-10-11-4-7-17-8-5-11)21-12(6-9-19-21)20-15(13)24-2/h4-9,18H,3,10H2,1-2H3