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

Systemtic Name: 1-ethyl-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione Openeye Name: 1-ethyl-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione CAS Name: 1-ethyl-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione IUPAC Name: 1-ethyl-3-methyl-7-(4-phosphonatobutyl)purine-2,6-dione Traditional Name: 1-ethyl-3-methyl-7-(4-phosphonatobutyl)xanthine Formula: C12H17N4O5P-2 MolecularWeight: 328.260941

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCCCP(=O)([O-])[O-])N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCCCP(=O)([O-])[O-])N(C1=O)C

InChI

InChI=1S/C12H19N4O5P/c1-3-16-11(17)9-10(14(2)12(16)18)13-8-15(9)6-4-5-7-22(19,20)21/h8H,3-7H2,1-2H3,(H2,19,20,21)/p-2