N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C18H23N7O2S2 MolecularWeight: 433.55092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SC

InChI

InChI=1S/C18H23N7O2S2/c1-27-10-8-21-16-14-11-22-25(17(14)24-18(23-16)28-2)9-7-20-15(26)12-29-13-3-5-19-6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,20,26)(H,21,23,24)