2-(6-phenacylsulfanylpurin-9-yl)-1-phenyl-ethanone

Systemtic Name: 2-(6-phenacylsulfanylpurin-9-yl)-1-phenyl-ethanone Openeye Name: 2-(6-phenacylsulfanylpurin-9-yl)-1-phenyl-ethanone CAS Name: 2-[6-(phenacylthio)-9-purinyl]-1-phenylethanone IUPAC Name: 2-(6-phenacylsulfanylpurin-9-yl)-1-phenylethanone Traditional Name: 2-[6-(phenacylthio)purin-9-yl]-1-phenyl-ethanone Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N=CN=C3SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2S/c26-17(15-7-3-1-4-8-15)11-25-14-24-19-20(25)22-13-23-21(19)28-12-18(27)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2