2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(4-sulfamoylphenyl)acetamide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18N6O3S2/c21-31(28,29)16-8-6-15(7-9-16)25-18(27)12-30-20-17-10-24-26(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,27)(H2,21,28,29)