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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C19H24N8OS2 MolecularWeight: 444.57686

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)N4CCCC4

InChI

InChI=1S/C19H24N8OS2/c1-2-29-19-24-16(26-9-3-4-10-26)14-12-23-27(17(14)25-19)11-8-20-15(28)13-30-18-21-6-5-7-22-18/h5-7,12H,2-4,8-11,13H2,1H3,(H,20,28)