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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H20N6O3S2/c22-32(29,30)17-8-6-15(7-9-17)10-11-23-19(28)13-31-21-18-12-26-27(20(18)24-14-25-21)16-4-2-1-3-5-16/h1-9,12,14H,10-11,13H2,(H,23,28)(H2,22,29,30)