[4-(6-azanyl-2-chloranyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [4-(6-azanyl-2-chloranyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-amino-2-chloro-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(6-amino-2-chloro-9-purinyl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(6-amino-2-chloropurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(6-amino-2-chloro-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H15ClN5O10P3 MolecularWeight: 481.617183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(N=C2N)Cl

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(N=C2N)Cl

InChI

InChI=1S/C9H15ClN5O10P3/c10-9-13-7(11)6-8(14-9)15(5-12-6)3-1-2-4-23-27(19,20)25-28(21,22)24-26(16,17)18/h5H,1-4H2,(H,19,20)(H,21,22)(H2,11,13,14)(H2,16,17,18)