7,9-dimethyl-2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one

Systemtic Name: 7,9-dimethyl-2-methylsulfanyl-5-oxidanidyl-1H-benzo[g]pteridin-5-ium-4-one Openeye Name: 7,9-dimethyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one CAS Name: 7,9-dimethyl-2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one IUPAC Name: 7,9-dimethyl-2-methylsulfanyl-5-oxido-1H-benzo[g]pteridin-5-ium-4-one Traditional Name: 7,9-dimethyl-2-(methylthio)-5-oxido-1H-benzo[g]pteridin-5-ium-4-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=C3C(=N2)NC(=NC3=O)SC)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)[N+](=C3C(=N2)NC(=NC3=O)SC)[O-])C

InChI

InChI=1S/C13H12N4O2S/c1-6-4-7(2)9-8(5-6)17(19)10-11(14-9)15-13(20-3)16-12(10)18/h4-5H,1-3H3,(H,14,15,16,18)