methyl 3-[[1-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzoate

Systemtic Name: methyl 3-[[1-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzoate Openeye Name: methyl 3-[[1-(2-furylmethyl)-2,6-dioxo-3-phenyl-purin-7-yl]methyl]benzoate CAS Name: 3-[[1-(2-furanylmethyl)-2,6-dioxo-3-phenyl-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(furan-2-ylmethyl)-2,6-dioxo-3-phenylpurin-7-yl]methyl]benzoate Traditional Name: 3-[[1-(2-furfuryl)-2,6-diketo-3-phenyl-purin-7-yl]methyl]benzoic acid methyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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