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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-(phenylmethyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-7-[(2-iodophenyl)methyl]-8-piperazin-1-yl-1-propyl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-3-(phenylmethyl)-8-(1-piperazinyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-7-[(2-iodophenyl)methyl]-8-piperazin-1-yl-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-iodobenzyl)-8-piperazino-1-propyl-xanthine Formula: C26H29IN6O2 MolecularWeight: 584.45193

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3I)N4CCNCC4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3I)N4CCNCC4)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H29IN6O2/c1-2-14-31-24(34)22-23(33(26(31)35)17-19-8-4-3-5-9-19)29-25(30-15-12-28-13-16-30)32(22)18-20-10-6-7-11-21(20)27/h3-11,28H,2,12-18H2,1H3