7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propyl-purin-7-ium-2,6-dione

Systemtic Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propyl-purin-7-ium-2,6-dione Openeye Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propyl-purin-7-ium-2,6-dione CAS Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propylpurin-7-ium-2,6-dione IUPAC Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propylpurin-7-ium-2,6-dione Traditional Name: 7-(4-diethoxyphosphorylbutyl)-3-methyl-7-propyl-purin-7-ium-2,6-quinone Formula: C17H30N4O5P+ MolecularWeight: 401.417661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)CCCCP(=O)(OCC)OCC

Isomeric SMILES

CCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)CCCCP(=O)(OCC)OCC

InChI

InChI=1S/C17H29N4O5P/c1-5-10-21(11-8-9-12-27(24,25-6-2)26-7-3)13-18-15-14(21)16(22)19-17(23)20(15)4/h13H,5-12H2,1-4H3/p+1