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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1H-indole-3-carboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Traditional Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-indole-3-carboxamide Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CNC4=CC=CC=C43)SC

InChI

InChI=1S/C20H23N7O2S/c1-29-10-8-21-17-15-12-24-27(18(15)26-20(25-17)30-2)9-7-22-19(28)14-11-23-16-6-4-3-5-13(14)16/h3-6,11-12,23H,7-10H2,1-2H3,(H,22,28)(H,21,25,26)