8-(1,4-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-3-methyl-1-(oxan-2-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-3-methyl-1-(oxan-2-ylmethyl)purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(tetrahydropyran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(2-oxanylmethyl)purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(oxan-2-ylmethyl)purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-7-(2-iodobenzyl)-3-methyl-1-(tetrahydropyran-2-ylmethyl)xanthine Formula: C24H31IN6O3 MolecularWeight: 578.44581

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3CCCCO3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3CCCCO3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C24H31IN6O3/c1-28-21-20(22(32)31(24(28)33)16-18-8-4-5-14-34-18)30(15-17-7-2-3-9-19(17)25)23(27-21)29-12-6-10-26-11-13-29/h2-3,7,9,18,26H,4-6,8,10-16H2,1H3