3,7,9-trimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one

Systemtic Name: 3,7,9-trimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one Openeye Name: 3,7,9-trimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one CAS Name: 3,7,9-trimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone IUPAC Name: 3,7,9-trimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one Traditional Name: 3,7,9-trimethyl-2-(methylthio)-5-oxido-benzo[g]pteridin-5-ium-4-one Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=C3C(=N2)N=C(N(C3=O)C)SC)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)[N+](=C3C(=N2)N=C(N(C3=O)C)SC)[O-])C

InChI

InChI=1S/C14H14N4O2S/c1-7-5-8(2)10-9(6-7)18(20)11-12(15-10)16-14(21-4)17(3)13(11)19/h5-6H,1-4H3