sodium [5-(6-azanyl-2-iodanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: sodium [5-(6-azanyl-2-iodanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: sodium [5-(6-amino-2-iodo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: sodium [5-(6-amino-2-iodo-9-purinyl)-3-hydroxy-2-oxolanyl]methyl phosphate IUPAC Name: sodium [5-(6-amino-2-iodopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate Traditional Name: sodium [5-(6-amino-2-iodo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H11IN5NaO6P- MolecularWeight: 478.092241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)I)COP(=O)([O-])[O-])O.[Na+]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=C(N=C3N)I)COP(=O)([O-])[O-])O.[Na+]

InChI

InChI=1S/C10H13IN5O6P.Na/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20;/h3-6,17H,1-2H2,(H2,12,14,15)(H2,18,19,20);/q;+1/p-2