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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-phenoxyethyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-3-methyl-1-(2-phenoxyethyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-iodobenzyl)-3-methyl-1-(2-phenoxyethyl)-8-piperazino-xanthine Formula: C25H27IN6O3 MolecularWeight: 586.42475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C25H27IN6O3/c1-29-22-21(23(33)31(25(29)34)15-16-35-19-8-3-2-4-9-19)32(17-18-7-5-6-10-20(18)26)24(28-22)30-13-11-27-12-14-30/h2-10,27H,11-17H2,1H3