[(Z)-4-(6-chloranylpurin-9-yl)but-2-enyl] benzoate

Systemtic Name: [(Z)-4-(6-chloranylpurin-9-yl)but-2-enyl] benzoate Openeye Name: [(Z)-4-(6-chloropurin-9-yl)but-2-enyl] benzoate CAS Name: benzoic acid [(Z)-4-(6-chloro-9-purinyl)but-2-enyl] ester IUPAC Name: [(Z)-4-(6-chloropurin-9-yl)but-2-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-(6-chloropurin-9-yl)but-2-enyl] ester Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C=C\CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C16H13ClN4O2/c17-14-13-15(19-10-18-14)21(11-20-13)8-4-5-9-23-16(22)12-6-2-1-3-7-12/h1-7,10-11H,8-9H2/b5-4-