8-(1,2-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,2-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(diazepan-1-yl)-7-[(2-iodophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-diazepanyl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(diazepan-1-yl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(diazepan-1-yl)-7-(2-iodobenzyl)-1,3-dimethyl-xanthine Formula: C19H23IN6O2 MolecularWeight: 494.32939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCN3)CC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCN3)CC4=CC=CC=C4I

InChI

InChI=1S/C19H23IN6O2/c1-23-16-15(17(27)24(2)19(23)28)25(12-13-8-4-5-9-14(13)20)18(22-16)26-11-7-3-6-10-21-26/h4-5,8-9,21H,3,6-7,10-12H2,1-2H3