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

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: 5-keto-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrrolidine-2-carboxamide Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)N4CCCC4

InChI

InChI=1S/C17H23N7O2S/c1-27-17-21-14(23-7-2-3-8-23)11-10-19-24(15(11)22-17)9-6-18-16(26)12-4-5-13(25)20-12/h10,12H,2-9H2,1H3,(H,18,26)(H,20,25)