2,8-bis(methylsulfanyl)-9-phenyl-3H-purin-6-one

Systemtic Name: 2,8-bis(methylsulfanyl)-9-phenyl-3H-purin-6-one Openeye Name: 2,8-bis(methylsulfanyl)-9-phenyl-3H-purin-6-one CAS Name: 2,8-bis(methylthio)-9-phenyl-3H-purin-6-one IUPAC Name: 2,8-bis(methylsulfanyl)-9-phenyl-3H-purin-6-one Traditional Name: 2,8-bis(methylthio)-9-phenyl-3H-purin-6-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C(=N2)SC)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C(=N2)SC)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS2/c1-19-12-15-10-9(11(18)16-12)14-13(20-2)17(10)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,15,16,18)