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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C21H22N8OS MolecularWeight: 434.51738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H22N8OS/c30-18(14-31-21-24-8-4-9-25-21)22-11-12-29-20-17(13-28-29)19(26-15-27-20)23-10-7-16-5-2-1-3-6-16/h1-6,8-9,13,15H,7,10-12,14H2,(H,22,30)(H,23,26,27)