3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-mesityl-propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C(C)(C)C)C

InChI

InChI=1S/C21H27N5O2/c1-13-9-14(2)18(15(3)10-13)24-17(27)7-8-25-12-22-19-16(20(25)28)11-23-26(19)21(4,5)6/h9-12H,7-8H2,1-6H3,(H,24,27)