6-chloranyl-9-(3-ethanoylphenyl)-7H-purin-8-one

Systemtic Name: 6-chloranyl-9-(3-ethanoylphenyl)-7H-purin-8-one Openeye Name: 9-(3-acetylphenyl)-6-chloro-7H-purin-8-one CAS Name: 9-(3-acetylphenyl)-6-chloro-7H-purin-8-one IUPAC Name: 9-(3-acetylphenyl)-6-chloro-7H-purin-8-one Traditional Name: 9-(3-acetylphenyl)-6-chloro-7H-purin-8-one Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C3=C(C(=NC=N3)Cl)NC2=O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C3=C(C(=NC=N3)Cl)NC2=O

InChI

InChI=1S/C13H9ClN4O2/c1-7(19)8-3-2-4-9(5-8)18-12-10(17-13(18)20)11(14)15-6-16-12/h2-6H,1H3,(H,17,20)