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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C20H27N7OS2 MolecularWeight: 445.60468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7OS2/c1-4-29-20-25-18(23-11-14(2)3)16-12-24-27(19(16)26-20)10-9-22-17(28)13-30-15-5-7-21-8-6-15/h5-8,12,14H,4,9-11,13H2,1-3H3,(H,22,28)(H,23,25,26)