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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C17H22N8O2S MolecularWeight: 402.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SC

InChI

InChI=1S/C17H22N8O2S/c1-10(2)8-19-14-11-9-20-25(15(11)22-17(21-14)28-3)7-6-18-16(27)12-4-5-13(26)24-23-12/h4-5,9-10H,6-8H2,1-3H3,(H,18,27)(H,24,26)(H,19,21,22)