[4-[(6-chloranylpurin-9-yl)methyl]phenyl] ethanoate

Systemtic Name: [4-[(6-chloranylpurin-9-yl)methyl]phenyl] ethanoate Openeye Name: [4-[(6-chloropurin-9-yl)methyl]phenyl] acetate CAS Name: acetic acid [4-[(6-chloro-9-purinyl)methyl]phenyl] ester IUPAC Name: [4-[(6-chloropurin-9-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(6-chloropurin-9-yl)methyl]phenyl] ester Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C14H11ClN4O2/c1-9(20)21-11-4-2-10(3-5-11)6-19-8-18-12-13(15)16-7-17-14(12)19/h2-5,7-8H,6H2,1H3