9-ethyl-8-[(3-methylphenyl)methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-ethyl-8-[(3-methylphenyl)methylsulfanyl]-3H-purin-6-one Openeye Name: 9-ethyl-8-(m-tolylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-ethyl-8-[(3-methylphenyl)methylthio]-3H-purin-6-one IUPAC Name: 9-ethyl-8-[(3-methylphenyl)methylsulfanyl]-3H-purin-6-one Traditional Name: 9-ethyl-8-[(3-methylbenzyl)thio]-3H-purin-6-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=CC(=C3)C

InChI

InChI=1S/C15H16N4OS/c1-3-19-13-12(14(20)17-9-16-13)18-15(19)21-8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,20)