N-ethyl-3-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-ethyl-3-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-ethyl-3-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-ethyl-3-[[1-oxo-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-ethyl-3-[[2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetyl]amino]benzamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3S/c1-2-23-20(30)14-7-6-8-15(11-14)25-18(29)13-32-22-26-19-17(21(31)27-22)12-24-28(19)16-9-4-3-5-10-16/h3-12,24H,2,13H2,1H3,(H,23,30)(H,25,29)