[(2E)-2-(chloranylmethylidene)-4-(6-chloranylpurin-9-yl)butyl] benzoate

Systemtic Name: [(2E)-2-(chloranylmethylidene)-4-(6-chloranylpurin-9-yl)butyl] benzoate Openeye Name: [(2E)-2-(chloromethylene)-4-(6-chloropurin-9-yl)butyl] benzoate CAS Name: benzoic acid [(2E)-2-(chloromethylidene)-4-(6-chloro-9-purinyl)butyl] ester IUPAC Name: [(2E)-2-(chloromethylidene)-4-(6-chloropurin-9-yl)butyl] benzoate Traditional Name: benzoic acid [(E)-3-chloro-2-[2-(6-chloropurin-9-yl)ethyl]allyl] ester Formula: C17H14Cl2N4O2 MolecularWeight: 377.22466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=CCl)CCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C(=C/Cl)/CCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C17H14Cl2N4O2/c18-8-12(9-25-17(24)13-4-2-1-3-5-13)6-7-23-11-22-14-15(19)20-10-21-16(14)23/h1-5,8,10-11H,6-7,9H2/b12-8+