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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: 5-keto-N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrrolidine-2-carboxamide Formula: C16H23N7O3S MolecularWeight: 393.46392

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCC(=O)N3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3CCC(=O)N3)SC

InChI

InChI=1S/C16H23N7O3S/c1-26-8-6-17-13-10-9-19-23(14(10)22-16(21-13)27-2)7-5-18-15(25)11-3-4-12(24)20-11/h9,11H,3-8H2,1-2H3,(H,18,25)(H,20,24)(H,17,21,22)