N-(3-methylbutyl)-2-[4-oxidanylidene-1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[4-oxidanylidene-1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-isopentyl-2-[4-oxo-1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(3-methylbutyl)-2-[4-oxo-1-(4-sulfamoylphenyl)-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(3-methylbutyl)-2-[4-oxo-1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-isoamyl-2-[4-keto-1-(4-sulfamoylphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)CCNC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H22N6O4S/c1-12(2)7-8-20-16(25)10-23-11-21-17-15(18(23)26)9-22-24(17)13-3-5-14(6-4-13)29(19,27)28/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,25)(H2,19,27,28)