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

Systemtic Name: 2-chloranyl-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C19H22ClN7OS MolecularWeight: 431.94228

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)Cl)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=CC=C3)Cl)C(=N1)N4CCCC4

InChI

InChI=1S/C19H22ClN7OS/c1-2-29-19-24-16(26-9-3-4-10-26)14-12-23-27(17(14)25-19)11-8-22-18(28)13-6-5-7-21-15(13)20/h5-7,12H,2-4,8-11H2,1H3,(H,22,28)