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

Systemtic Name: N-(2-ethylhexyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-(2-ethylhexyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-(2-ethylhexyl)-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(2-ethylhexyl)-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-(2-ethylhexyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=NN(C2=NC=CC(=C12)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=NN(C2=NC=CC(=C12)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4OS/c1-3-5-10-19(4-2)17-28-26(31)24-23-21(22-13-9-16-32-22)14-15-27-25(23)30(29-24)18-20-11-7-6-8-12-20/h6-9,11-16,19H,3-5,10,17-18H2,1-2H3,(H,28,31)