1,3-bis(furan-3-ylmethyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione

Systemtic Name: 1,3-bis(furan-3-ylmethyl)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 7-benzyl-1,3-bis(3-furylmethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 1,3-bis(3-furanylmethyl)-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 7-benzyl-1,3-bis(furan-3-ylmethyl)-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 7-benzyl-1,3-bis(3-furfuryl)-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-quinone Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)N(C3=O)CC5=COC=C5)CC6=COC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(NC2=C4C=CC(=O)C=C4)N(C(=O)N(C3=O)CC5=COC=C5)CC6=COC=C6

InChI

InChI=1S/C28H22N4O5/c33-23-8-6-22(7-9-23)25-29-26-24(30(25)14-19-4-2-1-3-5-19)27(34)32(16-21-11-13-37-18-21)28(35)31(26)15-20-10-12-36-17-20/h1-13,17-18,29H,14-16H2