disodium [5-(6-azanyl-2-butoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [5-(6-azanyl-2-butoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [5-(6-amino-2-butoxy-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [5-(6-amino-2-butoxy-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: disodium [5-(6-amino-2-butoxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: disodium [5-(6-amino-2-butoxy-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C14H20N5Na2O8P MolecularWeight: 463.290601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C14H22N5O8P.2Na/c1-2-3-4-25-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(27-13)5-26-28(22,23)24;;/h6-7,9-10,13,20-21H,2-5H2,1H3,(H2,15,17,18)(H2,22,23,24);;/q;2*+1/p-2