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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyridine-3-carboxamide Formula: C17H21N7O3S MolecularWeight: 403.45874

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CNC3=O)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CNC3=O)SC

InChI

InChI=1S/C17H21N7O3S/c1-27-9-7-18-13-12-10-21-24(14(12)23-17(22-13)28-2)8-6-20-16(26)11-4-3-5-19-15(11)25/h3-5,10H,6-9H2,1-2H3,(H,19,25)(H,20,26)(H,18,22,23)