N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C20H26N8O2S MolecularWeight: 442.53784

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NN(C(=O)C=C3)C)C(=N1)N4CCCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NN(C(=O)C=C3)C)C(=N1)N4CCCCC4

InChI

InChI=1S/C20H26N8O2S/c1-3-31-20-23-17(27-10-5-4-6-11-27)14-13-22-28(18(14)24-20)12-9-21-19(30)15-7-8-16(29)26(2)25-15/h7-8,13H,3-6,9-12H2,1-2H3,(H,21,30)