1-(4-bromophenyl)-2-(9-methylpurin-6-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(9-methylpurin-6-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-(9-methylpurin-6-yl)sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[(9-methyl-6-purinyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(9-methylpurin-6-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(9-methylpurin-6-yl)thio]ethanone Formula: C14H11BrN4OS MolecularWeight: 363.23234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C=NC2=C1N=CN=C2SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H11BrN4OS/c1-19-8-18-12-13(19)16-7-17-14(12)21-6-11(20)9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3