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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(3-hydroxypropyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(3-hydroxypropyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(3-hydroxypropyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(3-hydroxypropyl)-7-(2-iodobenzyl)-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)CCCO)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4I

Isomeric SMILES

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

InChI

InChI=1S/C20H25IN6O3/c1-24-17-16(18(29)26(20(24)30)9-4-12-28)27(13-14-5-2-3-6-15(14)21)19(23-17)25-10-7-22-8-11-25/h2-3,5-6,22,28H,4,7-13H2,1H3