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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)SC

InChI

InChI=1S/C22H25N7O2S/c1-31-14-10-23-19-18-15-25-29(20(18)27-22(26-19)32-2)13-9-24-21(30)16-5-7-17(8-6-16)28-11-3-4-12-28/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,24,30)(H,23,26,27)