N-[2-(2-ethoxyphenyl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[2-(2-ethoxyphenyl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[2-(2-ethoxyphenyl)ethyl]-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(2-ethoxyphenyl)ethyl]-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(2-ethoxyphenyl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-(isopropylthio)-1,3-dimethyl-N-(2-o-phenetylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCNC(=O)C2=CN=C3C(=C2SC(C)C)C(=NN3C)C

Isomeric SMILES

CCOC1=CC=CC=C1CCNC(=O)C2=CN=C3C(=C2SC(C)C)C(=NN3C)C

InChI

InChI=1S/C22H28N4O2S/c1-6-28-18-10-8-7-9-16(18)11-12-23-22(27)17-13-24-21-19(15(4)25-26(21)5)20(17)29-14(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,23,27)