3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H26N6O4S/c1-20(2,3)26-18-16(12-24-26)19(28)25(13-23-18)11-9-17(27)22-10-8-14-4-6-15(7-5-14)31(21,29)30/h4-7,12-13H,8-11H2,1-3H3,(H,22,27)(H2,21,29,30)