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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)OC)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)OC)N(C(=N2)N4CCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C25H27IN6O3/c1-29-22-21(23(33)32(25(29)34)15-17-6-5-8-19(14-17)35-2)31(16-18-7-3-4-9-20(18)26)24(28-22)30-12-10-27-11-13-30/h3-9,14,27H,10-13,15-16H2,1-2H3