3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-[4-(2-quinoxalinylsulfamoyl)phenyl]benzamide IUPAC Name: 3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Formula: C27H20N8O3S2 MolecularWeight: 568.6295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)CSC5=NC=NC6=C5C=NN6

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)CSC5=NC=NC6=C5C=NN6

InChI

InChI=1S/C27H20N8O3S2/c36-26(18-5-3-4-17(12-18)15-39-27-21-13-31-34-25(21)29-16-30-27)32-19-8-10-20(11-9-19)40(37,38)35-24-14-28-22-6-1-2-7-23(22)33-24/h1-14,16H,15H2,(H,32,36)(H,33,35)(H,29,30,31,34)