1-(furan-2-ylmethyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(furan-2-ylmethyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-(2-furylmethyl)-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-phenyl-purine-2,6-dione CAS Name: 1-(2-furanylmethyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-(furan-2-ylmethyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-phenylpurine-2,6-dione Traditional Name: 1-(2-furfuryl)-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-phenyl-xanthine Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C25H20N4O5/c1-33-19-10-5-7-17(13-19)21(30)15-27-16-26-23-22(27)24(31)28(14-20-11-6-12-34-20)25(32)29(23)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3