7-(aminomethyl)-1,3-dimethyl-purine-2,6-dione; 2-iodanylethanamide

Systemtic Name: 7-(aminomethyl)-1,3-dimethyl-purine-2,6-dione; 2-iodanylethanamide Openeye Name: 7-(aminomethyl)-1,3-dimethyl-purine-2,6-dione; 2-iodoacetamide CAS Name: 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione; 2-iodoacetamide IUPAC Name: 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione; 2-iodoacetamide Traditional Name: 7-(aminomethyl)-1,3-dimethyl-xanthine; 2-iodoacetamide Formula: C10H15IN6O3 MolecularWeight: 394.16897

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN.C(C(=O)N)I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN.C(C(=O)N)I

InChI

InChI=1S/C8H11N5O2.C2H4INO/c1-11-6-5(13(3-9)4-10-6)7(14)12(2)8(11)15;3-1-2(4)5/h4H,3,9H2,1-2H3;1H2,(H2,4,5)