[4-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [4-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Openeye Name: [4-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate CAS Name: [4-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate IUPAC Name: [4-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Traditional Name: [4-adenin-9-yl-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Formula: C10H17N5O8P2 MolecularWeight: 397.218202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC(COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCC(COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C10H17N5O8P2/c11-9-8-10(13-5-12-9)15(6-14-8)2-1-7(3-22-24(16,17)18)4-23-25(19,20)21/h5-7H,1-4H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)