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

Systemtic Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[1-(p-tolyl)pyrazolo[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:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18N6O3S2/c1-13-2-6-15(7-3-13)26-19-17(10-24-26)20(23-12-22-19)30-11-18(27)25-14-4-8-16(9-5-14)31(21,28)29/h2-10,12H,11H2,1H3,(H,25,27)(H2,21,28,29)