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

Systemtic Name: 3-ethyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-(4-phosphonatobutyl)-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-(4-phosphonatobutyl)-7H-purine-2,6-quinone Formula: C11H15N4O5P-2 MolecularWeight: 314.234361

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])NC=N2

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCP(=O)([O-])[O-])NC=N2

InChI

InChI=1S/C11H17N4O5P/c1-2-14-9-8(12-7-13-9)10(16)15(11(14)17)5-3-4-6-21(18,19)20/h7H,2-6H2,1H3,(H,12,13)(H2,18,19,20)/p-2