N-(2-benzamidoethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-benzamidoethyl)-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(2-benzamidoethyl)-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(2-benzamidoethyl)-6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-12-18(19-13-25-27(20(19)26-15)14-17-8-5-11-30-17)22(29)24-10-9-23-21(28)16-6-3-2-4-7-16/h2-8,11-13H,9-10,14H2,1H3,(H,23,28)(H,24,29)