N-(2-cyclopentylsulfanylphenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC=C3SC4CCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC=C3SC4CCCC4)C

InChI

InChI=1S/C20H22N4OS/c1-13-16-11-14(12-21-19(16)24(2)23-13)20(25)22-17-9-5-6-10-18(17)26-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,22,25)