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

Systemtic Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodanylphenyl)methyl]-3-methyl-1-(oxolan-2-ylmethyl)purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(2-oxolanylmethyl)purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-7-(2-iodobenzyl)-3-methyl-1-(tetrahydrofurfuryl)xanthine Formula: C23H29IN6O3 MolecularWeight: 564.41923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3CCCO3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3CCCO3)N(C(=N2)N4CCCNCC4)CC5=CC=CC=C5I

InChI

InChI=1S/C23H29IN6O3/c1-27-20-19(21(31)30(23(27)32)15-17-7-4-13-33-17)29(14-16-6-2-3-8-18(16)24)22(26-20)28-11-5-9-25-10-12-28/h2-3,6,8,17,25H,4-5,7,9-15H2,1H3