8-(3,5-dimethoxyphenyl)-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethoxyphenyl)-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(3,5-dimethoxyphenyl)-7-(2-furylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethoxyphenyl)-7-(2-furanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(3,5-dimethoxyphenyl)-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(3,5-dimethoxyphenyl)-7-(2-furfuryl)xanthine Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC3=C(N2CC4=CC=CO4)C(=O)NC(=O)N3CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC3=C(N2CC4=CC=CO4)C(=O)NC(=O)N3CC5=CC=CC=C5)OC

InChI

InChI=1S/C25H22N4O5/c1-32-19-11-17(12-20(13-19)33-2)22-26-23-21(28(22)15-18-9-6-10-34-18)24(30)27-25(31)29(23)14-16-7-4-3-5-8-16/h3-13H,14-15H2,1-2H3,(H,27,30,31)