(2S)-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenyl-butanamide CAS Name: (2S)-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenylbutanamide Traditional Name: (2S)-N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenyl-butyramide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-2-17(15-9-5-3-6-10-15)21(28)23-14-19-25-20-18(22(29)26-19)13-24-27(20)16-11-7-4-8-12-16/h3-13,17,24H,2,14H2,1H3,(H,23,28)/t17-/m0/s1