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

Systemtic Name: 5-[6-azanyl-2-(4-phenylbut-1-ynyl)purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-(4-phenylbut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-(4-phenylbut-1-ynyl)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-(4-phenylbut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-(4-phenylbut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCCC4=CC=CC=C4)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCCC4=CC=CC=C4)O)O

InChI

InChI=1S/C22H24N6O4/c1-2-24-21(31)18-16(29)17(30)22(32-18)28-12-25-15-19(23)26-14(27-20(15)28)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,16-18,22,29-30H,2,6,10H2,1H3,(H,24,31)(H2,23,26,27)