3,7-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one

Systemtic Name: 3,7-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one Openeye Name: 3,7-dimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one CAS Name: 3,7-dimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone IUPAC Name: 3,7-dimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one Traditional Name: 3,7-dimethyl-2-(methylthio)-5-oxido-benzo[g]pteridin-5-ium-4-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C(=[N+]2[O-])C(=O)N(C(=N3)SC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3C(=[N+]2[O-])C(=O)N(C(=N3)SC)C

InChI

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