1,3-benzothiazol-2-ylmethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H19N5O2S MolecularWeight: 477.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H19N5O2S/c33-27(34-17-25-30-22-8-4-5-9-24(22)35-25)20-14-23(19-6-2-1-3-7-19)31-26-21(20)15-29-32(26)16-18-10-12-28-13-11-18/h1-15H,16-17H2