[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (5-iodanyl-1H-indol-3-yl) hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (5-iodanyl-1H-indol-3-yl) hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl (5-iodo-1H-indol-3-yl) hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-2-oxolanyl]methyl (5-iodo-1H-indol-3-yl) hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (5-iodo-1H-indol-3-yl) hydrogen phosphate Traditional Name: (5-adenin-9-yltetrahydrofuran-2-yl)methyl (5-iodo-1H-indol-3-yl) hydrogen phosphate Formula: C18H18IN6O5P MolecularWeight: 556.250951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(O)OC2=CNC3=C2C=C(C=C3)I)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1CC(OC1COP(=O)(O)OC2=CNC3=C2C=C(C=C3)I)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C18H18IN6O5P/c19-10-1-3-13-12(5-10)14(6-21-13)30-31(26,27)28-7-11-2-4-15(29-11)25-9-24-16-17(20)22-8-23-18(16)25/h1,3,5-6,8-9,11,15,21H,2,4,7H2,(H,26,27)(H2,20,22,23)