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

Systemtic Name: 1-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-methyl-N-[2-[6-methylsulfanyl-4-(1-piperidyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-pyridine-3-carboxamide CAS Name: 1-methyl-N-[2-[6-(methylthio)-4-(1-piperidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-methyl-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-oxopyridine-3-carboxamide Traditional Name: 2-keto-1-methyl-N-[2-[6-(methylthio)-4-piperidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C20H25N7O2S MolecularWeight: 427.5232

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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)N4CCCCC4

Isomeric SMILES

CN1C=CC=C(C1=O)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCCC4

InChI

InChI=1S/C20H25N7O2S/c1-25-9-6-7-14(19(25)29)18(28)21-8-12-27-17-15(13-22-27)16(23-20(24-17)30-2)26-10-4-3-5-11-26/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H,21,28)