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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

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