2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)ethanamide Openeye Name: 2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)acetamide CAS Name: 2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(4-butylphenyl)acetamide IUPAC Name: 2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(4-butylphenyl)acetamide Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C21H27N5O2/c1-5-6-7-15-8-10-16(11-9-15)24-18(27)13-25-14-22-19-17(20(25)28)12-23-26(19)21(2,3)4/h8-12,14H,5-7,13H2,1-4H3,(H,24,27)