2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H19N5O3S/c31-22(27-17-11-13-20(14-12-17)33-19-9-5-2-6-10-19)16-34-25-28-23-21(15-26-29-23)24(32)30(25)18-7-3-1-4-8-18/h1-15H,16H2,(H,26,29)(H,27,31)