6-methylsulfanyl-9-phenyl-3,7-dihydropurine-2,8-dione

Systemtic Name: 6-methylsulfanyl-9-phenyl-3,7-dihydropurine-2,8-dione Openeye Name: 6-methylsulfanyl-9-phenyl-3,7-dihydropurine-2,8-dione CAS Name: 6-(methylthio)-9-phenyl-3,7-dihydropurine-2,8-dione IUPAC Name: 6-methylsulfanyl-9-phenyl-3,7-dihydropurine-2,8-dione Traditional Name: 6-(methylthio)-9-phenyl-3,7-dihydropurine-2,8-quinone Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)NC2=C1NC(=O)N2C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)NC2=C1NC(=O)N2C3=CC=CC=C3

InChI

InChI=1S/C12H10N4O2S/c1-19-10-8-9(14-11(17)15-10)16(12(18)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,18)(H,14,15,17)