N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-piperonyl-acetamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H17N5O4/c27-19(22-9-14-6-7-17-18(8-14)30-13-29-17)11-25-12-23-20-16(21(25)28)10-24-26(20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,13H2,(H,22,27)