[1-diethoxyphosphoryl-2-(3-imidazol-1-ylpropylamino)ethyl] dihydrogen phosphate

Systemtic Name: [1-diethoxyphosphoryl-2-(3-imidazol-1-ylpropylamino)ethyl] dihydrogen phosphate Openeye Name: [1-diethoxyphosphoryl-2-(3-imidazol-1-ylpropylamino)ethyl] dihydrogen phosphate CAS Name: [1-diethoxyphosphoryl-2-[3-(1-imidazolyl)propylamino]ethyl] dihydrogen phosphate IUPAC Name: [1-diethoxyphosphoryl-2-(3-imidazol-1-ylpropylamino)ethyl] dihydrogen phosphate Traditional Name: [1-diethoxyphosphoryl-2-(3-imidazol-1-ylpropylamino)ethyl] dihydrogen phosphate Formula: C12H25N3O7P2 MolecularWeight: 385.290322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNCCCN1C=CN=C1)OP(=O)(O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CNCCCN1C=CN=C1)OP(=O)(O)O)OCC

InChI

InChI=1S/C12H25N3O7P2/c1-3-20-23(16,21-4-2)12(22-24(17,18)19)10-13-6-5-8-15-9-7-14-11-15/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,17,18,19)