6-butylsulfanyl-8-methylsulfanyl-9-phenyl-3H-purin-2-one

Systemtic Name: 6-butylsulfanyl-8-methylsulfanyl-9-phenyl-3H-purin-2-one Openeye Name: 6-butylsulfanyl-8-methylsulfanyl-9-phenyl-3H-purin-2-one CAS Name: 6-(butylthio)-8-(methylthio)-9-phenyl-3H-purin-2-one IUPAC Name: 6-butylsulfanyl-8-methylsulfanyl-9-phenyl-3H-purin-2-one Traditional Name: 6-(butylthio)-8-(methylthio)-9-phenyl-3H-purin-2-one Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)NC2=C1N=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CCCCSC1=NC(=O)NC2=C1N=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C16H18N4OS2/c1-3-4-10-23-14-12-13(18-15(21)19-14)20(16(17-12)22-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,19,21)