2-bromanyl-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 2-bromo-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 2-bromo-5-methoxy-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C19H23BrN6O3S MolecularWeight: 495.39332

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=C(C=CC(=C3)OC)Br)SC

InChI

InChI=1S/C19H23BrN6O3S/c1-28-9-7-21-16-14-11-23-26(17(14)25-19(24-16)30-3)8-6-22-18(27)13-10-12(29-2)4-5-15(13)20/h4-5,10-11H,6-9H2,1-3H3,(H,22,27)(H,21,24,25)