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

Systemtic Name: 3-ethyl-1-(4-phosphonatobutyl)-7-propyl-purine-2,6-dione Openeye Name: 3-ethyl-1-(4-phosphonatobutyl)-7-propyl-purine-2,6-dione CAS Name: 3-ethyl-1-(4-phosphonatobutyl)-7-propylpurine-2,6-dione IUPAC Name: 3-ethyl-1-(4-phosphonatobutyl)-7-propylpurine-2,6-dione Traditional Name: 3-ethyl-1-(4-phosphonatobutyl)-7-propyl-xanthine Formula: C14H21N4O5P-2 MolecularWeight: 356.314101

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCP(=O)([O-])[O-]

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCP(=O)([O-])[O-]

InChI

InChI=1S/C14H23N4O5P/c1-3-7-16-10-15-12-11(16)13(19)18(14(20)17(12)4-2)8-5-6-9-24(21,22)23/h10H,3-9H2,1-2H3,(H2,21,22,23)/p-2