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

Systemtic Name: 2-ethoxy-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C20H25N7O2S MolecularWeight: 427.5232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)N4CCCC4

InChI

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