8-[(4-ethenylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one

Systemtic Name: 8-[(4-ethenylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 9-methyl-8-[(4-vinylphenyl)methylsulfanyl]-3H-purin-6-one CAS Name: 8-[(4-ethenylphenyl)methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[(4-ethenylphenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 9-methyl-8-[(4-vinylbenzyl)thio]-3H-purin-6-one Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=C(C=C3)C=C

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=CC=C(C=C3)C=C

InChI

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