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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyridazine-3-carboxamide Formula: C16H20N8O3S MolecularWeight: 404.4468

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SC

InChI

InChI=1S/C16H20N8O3S/c1-27-8-6-17-13-10-9-19-24(14(10)21-16(20-13)28-2)7-5-18-15(26)11-3-4-12(25)23-22-11/h3-4,9H,5-8H2,1-2H3,(H,18,26)(H,23,25)(H,17,20,21)