7-(furan-2-ylmethyl)-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]xanthine Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H20N6O5/c29-17(26-9-8-23-21(26)31)13-28-20(30)18-19(24-14-25(18)12-16-7-4-10-33-16)27(22(28)32)11-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,23,31)