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

Systemtic Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H31N4O4PS MolecularWeight: 490.555401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2SC(C)C)C(=NN3C)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2SC(C)C)C(=NN3C)C)OCC

InChI

InChI=1S/C23H31N4O4PS/c1-7-30-32(29,31-8-2)14-17-9-11-18(12-10-17)25-23(28)19-13-24-22-20(16(5)26-27(22)6)21(19)33-15(3)4/h9-13,15H,7-8,14H2,1-6H3,(H,25,28)