5-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 5-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide Openeye Name: 5-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]oxazole-4-carboxamide CAS Name: 5-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-oxazolecarboxamide IUPAC Name: 5-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,3-oxazole-4-carboxamide Traditional Name: 5-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]oxazole-4-carboxamide Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=CO2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=CO2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H16N6O2S/c29-21(18-19(30-13-25-18)15-6-2-1-3-7-15)27-16-8-4-5-14(9-16)11-31-22-17-10-26-28-20(17)23-12-24-22/h1-10,12-13H,11H2,(H,27,29)(H,23,24,26,28)