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

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-1-propyl-purine-2,6-dione Openeye Name: 7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-1-propyl-purine-2,6-dione CAS Name: 7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)-1-propylpurine-2,6-dione IUPAC Name: 7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-1-propylpurine-2,6-dione Traditional Name: 7-(2-iodobenzyl)-3-methyl-8-piperazino-1-propyl-xanthine Formula: C20H25IN6O2 MolecularWeight: 508.35597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25IN6O2/c1-3-10-26-18(28)16-17(24(2)20(26)29)23-19(25-11-8-22-9-12-25)27(16)13-14-6-4-5-7-15(14)21/h4-7,22H,3,8-13H2,1-2H3