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

Systemtic Name: (5Z)-5-[2-(6-chloranylpurin-9-yl)ethylidene]-3-oxidanyl-4-phenylmethoxy-furan-2-one Openeye Name: (5Z)-4-benzyloxy-5-[2-(6-chloropurin-9-yl)ethylidene]-3-hydroxy-furan-2-one CAS Name: (5Z)-5-[2-(6-chloro-9-purinyl)ethylidene]-3-hydroxy-4-phenylmethoxy-2-furanone IUPAC Name: (5Z)-5-[2-(6-chloropurin-9-yl)ethylidene]-3-hydroxy-4-phenylmethoxyfuran-2-one Traditional Name: (5Z)-4-benzoxy-5-[2-(6-chloropurin-9-yl)ethylidene]-3-hydroxy-furan-2-one Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O4/c19-16-13-17(21-9-20-16)23(10-22-13)7-6-12-15(14(24)18(25)27-12)26-8-11-4-2-1-3-5-11/h1-6,9-10,24H,7-8H2/b12-6-