N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-piperonyl-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C21H17N5O3S/c27-20(22-8-13-4-5-17-18(7-13)29-12-28-17)15-3-1-2-14(6-15)10-30-21-16-9-25-26-19(16)23-11-24-21/h1-7,9,11H,8,10,12H2,(H,22,27)(H,23,24,25,26)