9,10-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one

Systemtic Name: 9,10-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one Openeye Name: 9,10-dimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one CAS Name: 9,10-dimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone IUPAC Name: 9,10-dimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one Traditional Name: 9,10-dimethyl-2-(methylthio)-5-oxido-benzo[g]pteridin-5-ium-4-one Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)[N+](=C3C(=NC(=NC3=O)SC)N2C)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)[N+](=C3C(=NC(=NC3=O)SC)N2C)[O-]

InChI

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