(5Z)-5-[2-(6-chloranylpurin-9-yl)ethylidene]-3,4-bis(phenylmethoxy)furan-2-one

Systemtic Name: (5Z)-5-[2-(6-chloranylpurin-9-yl)ethylidene]-3,4-bis(phenylmethoxy)furan-2-one Openeye Name: (5Z)-3,4-dibenzyloxy-5-[2-(6-chloropurin-9-yl)ethylidene]furan-2-one CAS Name: (5Z)-5-[2-(6-chloro-9-purinyl)ethylidene]-3,4-bis(phenylmethoxy)-2-furanone IUPAC Name: (5Z)-5-[2-(6-chloropurin-9-yl)ethylidene]-3,4-bis(phenylmethoxy)furan-2-one Traditional Name: (5Z)-3,4-dibenzoxy-5-[2-(6-chloropurin-9-yl)ethylidene]furan-2-one Formula: C25H19ClN4O4 MolecularWeight: 474.89576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=O)OC2=CCN3C=NC4=C3N=CN=C4Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC\2=C(C(=O)O/C2=C\CN3C=NC4=C3N=CN=C4Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C25H19ClN4O4/c26-23-20-24(28-15-27-23)30(16-29-20)12-11-19-21(32-13-17-7-3-1-4-8-17)22(25(31)34-19)33-14-18-9-5-2-6-10-18/h1-11,15-16H,12-14H2/b19-11-