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

Systemtic Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C21H27N7O3S MolecularWeight: 457.54918

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)SCC)N4CCOCC4

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SCC)N4CCOCC4

InChI

InChI=1S/C21H27N7O3S/c1-3-31-20-15(6-5-7-23-20)19(29)22-8-9-28-18-16(14-24-28)17(25-21(26-18)32-4-2)27-10-12-30-13-11-27/h5-7,14H,3-4,8-13H2,1-2H3,(H,22,29)