N-[(2-methylphenyl)methyl]-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-(o-tolylmethyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-[(2-methylphenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-(2-methylbenzyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c1-18-8-5-6-11-20(18)16-28-26(31)24-23-21(22-12-7-15-32-22)13-14-27-25(23)30(29-24)17-19-9-3-2-4-10-19/h2-15H,16-17H2,1H3,(H,28,31)