2-[2-(6-chloranylpurin-1-yl)ethyl]buta-2,3-dienyl benzoate

Systemtic Name: 2-[2-(6-chloranylpurin-1-yl)ethyl]buta-2,3-dienyl benzoate Openeye Name: 2-[2-(6-chloropurin-1-yl)ethyl]buta-2,3-dienyl benzoate CAS Name: benzoic acid 2-[2-(6-chloro-1-purinyl)ethyl]buta-2,3-dienyl ester IUPAC Name: 2-[2-(6-chloropurin-1-yl)ethyl]buta-2,3-dienyl benzoate Traditional Name: benzoic acid 2-[2-(6-chloropurin-1-yl)ethyl]buta-2,3-dienyl ester Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

C=C=C(CCN1C=NC2=NC=NC2=C1Cl)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C=C=C(CCN1C=NC2=NC=NC2=C1Cl)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15ClN4O2/c1-2-13(10-25-18(24)14-6-4-3-5-7-14)8-9-23-12-22-17-15(16(23)19)20-11-21-17/h3-7,11-12H,1,8-10H2