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

Systemtic Name: N-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-4-piperidinosulfonyl-benzamide Formula: C21H26N6O4S MolecularWeight: 458.53394

Click to see the large picture

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)N4CCCCC4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N6O4S/c1-21(2,3)27-18-17(13-23-27)20(29)26(14-22-18)24-19(28)15-7-9-16(10-8-15)32(30,31)25-11-5-4-6-12-25/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,28)