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

Systemtic Name: 5-[6-azanyl-2-[2-(4-ethanoylphenyl)ethynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[2-[2-(4-acetylphenyl)ethynyl]-6-amino-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[2-[2-(4-acetylphenyl)ethynyl]-6-amino-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[2-[2-(4-acetylphenyl)ethynyl]-6-aminopurin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[2-[2-(4-acetylphenyl)ethynyl]-6-amino-purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C22H22N6O5 MolecularWeight: 450.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CC4=CC=C(C=C4)C(=O)C)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CC4=CC=C(C=C4)C(=O)C)O)O

InChI

InChI=1S/C22H22N6O5/c1-3-24-21(32)18-16(30)17(31)22(33-18)28-10-25-15-19(23)26-14(27-20(15)28)9-6-12-4-7-13(8-5-12)11(2)29/h4-5,7-8,10,16-18,22,30-31H,3H2,1-2H3,(H,24,32)(H2,23,26,27)