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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-iodophenyl)methyl]-1-(2-methoxyethyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-1-(2-methoxyethyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-1-(2-methoxyethyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-iodobenzyl)-1-(2-methoxyethyl)-3-methyl-8-piperazino-xanthine Formula: C20H25IN6O3 MolecularWeight: 524.35537

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4I

InChI

InChI=1S/C20H25IN6O3/c1-24-17-16(18(28)26(20(24)29)11-12-30-2)27(13-14-5-3-4-6-15(14)21)19(23-17)25-9-7-22-8-10-25/h3-6,22H,7-13H2,1-2H3