8-iodanyl-1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-iodanyl-1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione Openeye Name: 9-benzyl-8-iodo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-iodo-1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione IUPAC Name: 9-benzyl-8-iodo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-benzyl-8-iodo-1,3-dimethyl-xanthine Formula: C14H13IN4O2 MolecularWeight: 396.18309

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3)I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=CC=C3)I

InChI

InChI=1S/C14H13IN4O2/c1-17-11-10(12(20)18(2)14(17)21)16-13(15)19(11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3