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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxo-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1-methyl-nicotinamide Formula: C20H25N7O2S MolecularWeight: 427.5232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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