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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Formula: C21H24N8O2S MolecularWeight: 452.53266

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)NCCOC

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)C(=N1)NCCOC

InChI

InChI=1S/C21H24N8O2S/c1-3-32-21-27-18(22-9-11-31-2)14-12-25-29(19(14)28-21)10-8-23-20(30)17-13-24-15-6-4-5-7-16(15)26-17/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,30)(H,22,27,28)