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

Systemtic Name: 2-(3-methoxyphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(3-methoxyphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(3-methoxyphenyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide IUPAC Name: 2-(3-methoxyphenyl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(3-methoxyphenyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C21H19N5O2S/c1-28-17-7-3-4-14(9-17)10-19(27)25-16-6-2-5-15(8-16)12-29-21-18-11-24-26-20(18)22-13-23-21/h2-9,11,13H,10,12H2,1H3,(H,25,27)(H,22,23,24,26)