5-[6-azanyl-2-(3-thiomorpholin-4-ylprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-azanyl-2-(3-thiomorpholin-4-ylprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-(3-thiomorpholinoprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-(3-thiomorpholin-4-ylprop-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-(3-thiomorpholin-4-ylprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-(3-thiomorpholinoprop-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCSCC4)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCN4CCSCC4)O)O

InChI

InChI=1S/C19H25N7O4S/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-31-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)