2-(9-methylpurin-6-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(9-methylpurin-6-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(9-methylpurin-6-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(9-methyl-6-purinyl)thio]-1-phenylethanone IUPAC Name: 2-(9-methylpurin-6-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(9-methylpurin-6-yl)thio]-1-phenyl-ethanone Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4OS/c1-18-9-17-12-13(18)15-8-16-14(12)20-7-11(19)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3