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

Systemtic Name: 5-[6-azanyl-2-[4-(oxan-2-yloxy)but-1-ynyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-amino-2-(4-tetrahydropyran-2-yloxybut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-amino-2-[4-(2-oxanyloxy)but-1-ynyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-amino-2-[4-(oxan-2-yloxy)but-1-ynyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-amino-2-(4-tetrahydropyran-2-yloxybut-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C21H28N6O6 MolecularWeight: 460.48362

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#CCCOC4CCCCO4)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)C#CCCOC4CCCCO4)O)O

InChI

InChI=1S/C21H28N6O6/c1-2-23-20(30)17-15(28)16(29)21(33-17)27-11-24-14-18(22)25-12(26-19(14)27)7-3-5-9-31-13-8-4-6-10-32-13/h11,13,15-17,21,28-29H,2,4-6,8-10H2,1H3,(H,23,30)(H2,22,25,26)