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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-piperonyl-acetamide Formula: C19H21N5O4 MolecularWeight: 383.40114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N5O4/c1-19(2,3)24-17-13(8-22-24)18(26)23(10-21-17)9-16(25)20-7-12-4-5-14-15(6-12)28-11-27-14/h4-6,8,10H,7,9,11H2,1-3H3,(H,20,25)