N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-6-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-6-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-6-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-6-quinolinecarboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]quinoline-6-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]quinoline-6-carboxamide Formula: C22H16N6OS MolecularWeight: 412.46704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CC=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=CC=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C22H16N6OS/c29-21(16-6-7-19-15(10-16)4-2-8-23-19)27-17-5-1-3-14(9-17)12-30-22-18-11-26-28-20(18)24-13-25-22/h1-11,13H,12H2,(H,27,29)(H,24,25,26,28)