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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Traditional Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]quinoxaline-2-carboxamide Formula: C20H22N8O2S MolecularWeight: 438.50608

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NC4=CC=CC=C4N=C3)SC

InChI

InChI=1S/C20H22N8O2S/c1-30-10-8-21-17-13-11-24-28(18(13)27-20(26-17)31-2)9-7-22-19(29)16-12-23-14-5-3-4-6-15(14)25-16/h3-6,11-12H,7-10H2,1-2H3,(H,22,29)(H,21,26,27)