N-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H24N6O4S/c1-20(2,3)26-17-16(12-22-26)19(28)25(13-21-17)23-18(27)14-6-8-15(9-7-14)31(29,30)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,27)