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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(methylthio)nicotinamide Formula: C20H25N7OS2 MolecularWeight: 443.5888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7OS2/c1-3-30-20-24-16(26-10-4-5-11-26)15-13-23-27(17(15)25-20)12-9-21-18(28)14-7-6-8-22-19(14)29-2/h6-8,13H,3-5,9-12H2,1-2H3,(H,21,28)