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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C20H25N7OS2 MolecularWeight: 443.5888

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=CC=NC=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C20H25N7OS2/c1-2-29-20-24-18(26-10-3-4-11-26)16-13-23-27(19(16)25-20)12-9-22-17(28)14-30-15-5-7-21-8-6-15/h5-8,13H,2-4,9-12,14H2,1H3,(H,22,28)