1-[3-(6-chloranylpurin-9-yl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(6-chloranylpurin-9-yl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(6-chloropurin-9-yl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-(6-chloro-9-purinyl)-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(6-chloropurin-9-yl)-4-methoxyphenyl]ethanone Traditional Name: 1-[3-(6-chloropurin-9-yl)-4-methoxy-phenyl]ethanone Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN4O2/c1-8(20)9-3-4-11(21-2)10(5-9)19-7-18-12-13(15)16-6-17-14(12)19/h3-7H,1-2H3