3-methyl-1-(1-phosphonatopentan-3-yl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(1-phosphonatopentan-3-yl)-7H-purine-2,6-dione Openeye Name: 1-(1-ethyl-3-phosphonato-propyl)-3-methyl-7H-purine-2,6-dione CAS Name: 3-methyl-1-(1-phosphonatopentan-3-yl)-7H-purine-2,6-dione IUPAC Name: 3-methyl-1-(1-phosphonatopentan-3-yl)-7H-purine-2,6-dione Traditional Name: 1-(1-ethyl-3-phosphonato-propyl)-3-methyl-7H-purine-2,6-quinone Formula: C11H15N4O5P-2 MolecularWeight: 314.234361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCP(=O)([O-])[O-])N1C(=O)C2=C(N=CN2)N(C1=O)C

Isomeric SMILES

CCC(CCP(=O)([O-])[O-])N1C(=O)C2=C(N=CN2)N(C1=O)C

InChI

InChI=1S/C11H17N4O5P/c1-3-7(4-5-21(18,19)20)15-10(16)8-9(13-6-12-8)14(2)11(15)17/h6-7H,3-5H2,1-2H3,(H,12,13)(H2,18,19,20)/p-2