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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

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