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

Systemtic Name: 1-methyl-N-[2-(6-methylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[2-(6-methylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-[6-(methylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[2-[6-(methylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridazine-3-carboxamide Formula: C18H22N8O3S MolecularWeight: 430.48408

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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)N4CCOCC4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCOCC4

InChI

InChI=1S/C18H22N8O3S/c1-24-14(27)4-3-13(23-24)17(28)19-5-6-26-16-12(11-20-26)15(21-18(22-16)30-2)25-7-9-29-10-8-25/h3-4,11H,5-10H2,1-2H3,(H,19,28)