N-[(2S)-3-methylbutan-2-yl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2/c1-12(2)13(3)21-16(24)10-22-11-19-17-15(18(22)25)9-20-23(17)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,21,24)/t13-/m0/s1