2-(6-aminopurin-9-yl)-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-(6-aminopurin-9-yl)-1-(4-chlorophenyl)ethanone Openeye Name: 2-(6-aminopurin-9-yl)-1-(4-chlorophenyl)ethanone CAS Name: 2-(6-aminopurin-9-yl)-1-(4-chlorophenyl)ethanone IUPAC Name: 2-(6-aminopurin-9-yl)-1-(4-chlorophenyl)ethanone Traditional Name: 2-adenin-9-yl-1-(4-chlorophenyl)ethanone Formula: C13H10ClN5O MolecularWeight: 287.7044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN2C=NC3=C2N=CN=C3N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN2C=NC3=C2N=CN=C3N)Cl

InChI

InChI=1S/C13H10ClN5O/c14-9-3-1-8(2-4-9)10(20)5-19-7-18-11-12(15)16-6-17-13(11)19/h1-4,6-7H,5H2,(H2,15,16,17)