2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]carbamothioyl]ethanamide Openeye Name: 2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]carbamothioyl]acetamide CAS Name: 2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]carbamothioyl]acetamide Traditional Name: 2-phenyl-N-[[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]thiocarbamoyl]acetamide Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H16N6O2S/c27-17(10-13-4-2-1-3-5-13)25-20(29)24-14-6-8-15(9-7-14)28-19-16-11-23-26-18(16)21-12-22-19/h1-9,11-12H,10H2,(H,21,22,23,26)(H2,24,25,27,29)