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

Systemtic Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridazine-3-carboxamide Formula: C18H22N8O2S MolecularWeight: 414.48468

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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)N4CCCC4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C18H22N8O2S/c1-24-14(27)6-5-13(23-24)17(28)19-7-10-26-16-12(11-20-26)15(21-18(22-16)29-2)25-8-3-4-9-25/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,28)