3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N6O4S/c1-14-25-19-17(13-24-27(19)21(2,3)4)20(29)26(14)12-10-18(28)23-11-9-15-5-7-16(8-6-15)32(22,30)31/h5-8,13H,9-12H2,1-4H3,(H,23,28)(H2,22,30,31)