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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxo-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1-methyl-nicotinamide Formula: C20H25N7O3S MolecularWeight: 443.5226

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CN(C3=O)C)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CN(C3=O)C)C(=N1)N4CCOCC4

InChI

InChI=1S/C20H25N7O3S/c1-3-31-20-23-16(26-9-11-30-12-10-26)15-13-22-27(17(15)24-20)8-6-21-18(28)14-5-4-7-25(2)19(14)29/h4-5,7,13H,3,6,8-12H2,1-2H3,(H,21,28)