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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2-methoxyphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-keto-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O5S/c1-29-15-5-3-2-4-14(15)26-19-13(9-22-26)20(28)25-21(24-19)32-10-18(27)23-12-6-7-16-17(8-12)31-11-30-16/h2-9,22H,10-11H2,1H3,(H,23,27)