3-methyl-1-(4-phosphonatobutyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(4-phosphonatobutyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(4-phosphonatobutyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(4-phosphonatobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(4-phosphonatobutyl)-7-propylpurine-2,6-dione Traditional Name: 3-methyl-1-(4-phosphonatobutyl)-7-propyl-xanthine Formula: C13H19N4O5P-2 MolecularWeight: 342.287521

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C13H21N4O5P/c1-3-6-16-9-14-11-10(16)12(18)17(13(19)15(11)2)7-4-5-8-23(20,21)22/h9H,3-8H2,1-2H3,(H2,20,21,22)/p-2