9-ethyl-1-(2-phenylsulfanylethyl)purin-6-one

Systemtic Name: 9-ethyl-1-(2-phenylsulfanylethyl)purin-6-one Openeye Name: 9-ethyl-1-(2-phenylsulfanylethyl)purin-6-one CAS Name: 9-ethyl-1-[2-(phenylthio)ethyl]-6-purinone IUPAC Name: 9-ethyl-1-(2-phenylsulfanylethyl)purin-6-one Traditional Name: 9-ethyl-1-[2-(phenylthio)ethyl]purin-6-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=CN(C2=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCN1C=NC2=C1N=CN(C2=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C15H16N4OS/c1-2-18-10-16-13-14(18)17-11-19(15(13)20)8-9-21-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3