1-(1-iodanylethyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(1-iodanylethyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(1-iodoethyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(1-iodoethyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(1-iodoethyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(1-iodoethyl)-3,7-dimethyl-xanthine Formula: C9H11IN4O2 MolecularWeight: 334.11371

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=O)C2=C(N=CN2C)N(C1=O)C)I

Isomeric SMILES

CC(N1C(=O)C2=C(N=CN2C)N(C1=O)C)I

InChI

InChI=1S/C9H11IN4O2/c1-5(10)14-8(15)6-7(11-4-12(6)2)13(3)9(14)16/h4-5H,1-3H3