[5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [5-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-4-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [5-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [5-(2-amino-8-bromo-6-keto-3H-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C10H14BrN5O10P2 MolecularWeight: 506.097182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C3=C(C(=O)N=C(N3)N)N=C2Br)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1C(OC(C1O)N2C3=C(C(=O)N=C(N3)N)N=C2Br)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C10H14BrN5O10P2/c11-9-13-5-6(14-10(12)15-7(5)18)16(9)8-4(17)1-3(25-8)2-24-28(22,23)26-27(19,20)21/h3-4,8,17H,1-2H2,(H,22,23)(H2,19,20,21)(H3,12,14,15,18)