10-phenyl-3-(6-sulfanylhexyl)benzo[g]pteridine-2,4-dione

Systemtic Name: 10-phenyl-3-(6-sulfanylhexyl)benzo[g]pteridine-2,4-dione Openeye Name: 10-phenyl-3-(6-sulfanylhexyl)benzo[g]pteridine-2,4-dione CAS Name: 3-(6-mercaptohexyl)-10-phenylbenzo[g]pteridine-2,4-dione IUPAC Name: 10-phenyl-3-(6-sulfanylhexyl)benzo[g]pteridine-2,4-dione Traditional Name: 3-(6-mercaptohexyl)-10-phenyl-benzo[g]pteridine-2,4-quinone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)CCCCCCS

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)CCCCCCS

InChI

InChI=1S/C22H22N4O2S/c27-21-19-20(24-22(28)25(21)14-8-1-2-9-15-29)26(16-10-4-3-5-11-16)18-13-7-6-12-17(18)23-19/h3-7,10-13,29H,1-2,8-9,14-15H2