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

Systemtic Name: 2-methylsulfanyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C19H23N7OS2 MolecularWeight: 429.56222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

InChI=1S/C19H23N7OS2/c1-28-18-13(6-5-7-21-18)17(27)20-8-11-26-16-14(12-22-26)15(23-19(24-16)29-2)25-9-3-4-10-25/h5-7,12H,3-4,8-11H2,1-2H3,(H,20,27)