8-(1,4-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-8-(1,4-diazepan-1-yl)-7-(2-iodobenzyl)xanthine Formula: C24H25IN6O2 MolecularWeight: 556.39877

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4I)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4I)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C24H25IN6O2/c25-19-10-5-4-9-18(19)16-30-20-21(27-23(30)29-13-6-11-26-12-14-29)31(24(33)28-22(20)32)15-17-7-2-1-3-8-17/h1-5,7-10,26H,6,11-16H2,(H,28,32,33)