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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC4=CC=CC=C4N3)SC

InChI

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