N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-morpholino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C18H25N7O3S MolecularWeight: 419.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCOCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCOCC4

InChI

InChI=1S/C18H25N7O3S/c1-2-29-18-22-15(24-7-9-28-10-8-24)12-11-20-25(16(12)23-18)6-5-19-17(27)13-3-4-14(26)21-13/h11,13H,2-10H2,1H3,(H,19,27)(H,21,26)