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

Systemtic Name: 1-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridazine-3-carboxamide Formula: C19H24N8O2S MolecularWeight: 428.51126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C19H24N8O2S/c1-25-15(28)7-6-14(24-25)18(29)20-8-11-27-17-13(12-21-27)16(22-19(23-17)30-2)26-9-4-3-5-10-26/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,29)