(4-tert-butylphenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (4-tert-butylbenzyl) ester Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O2S/c1-19-26-23(28(33)34-18-20-12-14-21(15-13-20)29(2,3)4)17-24(25-11-8-16-35-25)30-27(26)32(31-19)22-9-6-5-7-10-22/h5-17H,18H2,1-4H3