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

Systemtic Name: (phenylmethyl) 5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=NN2C(=C1C(=O)OCC3=CC=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

CSC1=NC2=CC=NN2C(=C1C(=O)OCC3=CC=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C21H19N5O2S/c1-29-20-18(21(27)28-14-16-5-3-2-4-6-16)19(26-17(25-20)9-12-24-26)23-13-15-7-10-22-11-8-15/h2-12,23H,13-14H2,1H3