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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1H-pyridazine-3-carboxamide Formula: C17H20N8O2S MolecularWeight: 400.4581

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NNC(=O)C=C3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NNC(=O)C=C3)C(=N1)N4CCCC4

InChI

InChI=1S/C17H20N8O2S/c1-28-17-20-14(24-7-2-3-8-24)11-10-19-25(15(11)21-17)9-6-18-16(27)12-4-5-13(26)23-22-12/h4-5,10H,2-3,6-9H2,1H3,(H,18,27)(H,23,26)