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

Systemtic Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxo-pyridine-3-carboxamide CAS Name: 1-methyl-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide Traditional Name: 2-keto-1-methyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CN1C=CC=C(C1=O)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C19H23N7O2S/c1-24-8-5-6-13(18(24)28)17(27)20-7-11-26-16-14(12-21-26)15(22-19(23-16)29-2)25-9-3-4-10-25/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,20,27)