4-[2-[1-(2-hydroxyethyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[1-(2-hydroxyethyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[1-(2-hydroxyethyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[1-(2-hydroxyethyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1-(2-hydroxyethyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[1-(2-hydroxyethyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CN2C=NC3=C(C2=O)C=NN3CCO

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CN2C=NC3=C(C2=O)C=NN3CCO

InChI

InChI=1S/C16H16N6O4/c17-14(25)10-1-3-11(4-2-10)20-13(24)8-21-9-18-15-12(16(21)26)7-19-22(15)5-6-23/h1-4,7,9,23H,5-6,8H2,(H2,17,25)(H,20,24)