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

Systemtic Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O2S/c1-3-30-20-15(8-7-9-23-20)19(29)22-10-13-28-18-16(14-24-28)17(27-11-5-6-12-27)25-21(26-18)31-4-2/h7-9,14H,3-6,10-13H2,1-2H3,(H,22,29)