methyl 2-(6-chloranylpurin-9-yl)-2-phenyl-ethanoate

Systemtic Name: methyl 2-(6-chloranylpurin-9-yl)-2-phenyl-ethanoate Openeye Name: methyl 2-(6-chloropurin-9-yl)-2-phenyl-acetate CAS Name: 2-(6-chloro-9-purinyl)-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(6-chloropurin-9-yl)-2-phenylacetate Traditional Name: 2-(6-chloropurin-9-yl)-2-phenyl-acetic acid methyl ester Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)N2C=NC3=C2N=CN=C3Cl

InChI

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