2-iodanyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 2-iodanyl-N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-iodo-benzamide CAS Name: 2-iodo-N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-iodobenzamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-iodo-benzamide Formula: C21H18IN5O2 MolecularWeight: 499.30439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=CC=C4I

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H18IN5O2/c22-18-9-5-4-8-16(18)20(28)23-10-11-27-19-17(12-25-27)21(29)26(14-24-19)13-15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,23,28)