[(Z)-4-(2-azanyl-6-chloranyl-purin-9-yl)but-2-enyl] benzoate

Systemtic Name: [(Z)-4-(2-azanyl-6-chloranyl-purin-9-yl)but-2-enyl] benzoate Openeye Name: [(Z)-4-(2-amino-6-chloro-purin-9-yl)but-2-enyl] benzoate CAS Name: benzoic acid [(Z)-4-(2-amino-6-chloro-9-purinyl)but-2-enyl] ester IUPAC Name: [(Z)-4-(2-amino-6-chloropurin-9-yl)but-2-enyl] benzoate Traditional Name: benzoic acid [(Z)-4-(2-amino-6-chloro-purin-9-yl)but-2-enyl] ester Formula: C16H14ClN5O2 MolecularWeight: 343.76766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O2/c17-13-12-14(21-16(18)20-13)22(10-19-12)8-4-5-9-24-15(23)11-6-2-1-3-7-11/h1-7,10H,8-9H2,(H2,18,20,21)/b5-4-