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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C19H25N7OS2 MolecularWeight: 431.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SC

InChI

InChI=1S/C19H25N7OS2/c1-13(2)10-22-17-15-11-23-26(18(15)25-19(24-17)28-3)9-8-21-16(27)12-29-14-4-6-20-7-5-14/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,27)(H,22,24,25)