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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C18H24N8O2S2 MolecularWeight: 448.56556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N8O2S2/c1-3-29-18-24-15(20-8-10-28-2)13-11-23-26(16(13)25-18)9-7-19-14(27)12-30-17-21-5-4-6-22-17/h4-6,11H,3,7-10,12H2,1-2H3,(H,19,27)(H,20,24,25)