1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-(7H-purin-6-ylthio)ethanone Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C15H14N4OS/c1-9-3-4-10(2)11(5-9)12(20)6-21-15-13-14(17-7-16-13)18-8-19-15/h3-5,7-8H,6H2,1-2H3,(H,16,17,18,19)