N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OCO2

InChI

InChI=1S/C22H17N5O5S/c1-12(28)14-7-17-18(32-11-31-17)8-16(14)24-19(29)10-33-22-25-20-15(9-23-26-20)21(30)27(22)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,23,26)(H,24,29)