2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(3-sulfamoylphenyl)acetamide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

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