N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H24FN5O2S MolecularWeight: 429.510963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=C3C(=C2)C(=NN3C)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=C3C(=C2)C(=NN3C)C)F

InChI

InChI=1S/C21H24FN5O2S/c1-4-5-6-9-29-18-8-7-15(11-17(18)22)24-21(30)25-20(28)14-10-16-13(2)26-27(3)19(16)23-12-14/h7-8,10-12H,4-6,9H2,1-3H3,(H2,24,25,28,30)