10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-dione

Systemtic Name: 10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-dione Openeye Name: 10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-dione CAS Name: 10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-dione IUPAC Name: 10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-dione Traditional Name: 10-phenethyl-1H-benzo[g]pteridin-10-ium-2,4-quinone Formula: C18H15N4O2+ MolecularWeight: 319.3373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C3C(=NC4=CC=CC=C42)C(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C3C(=NC4=CC=CC=C42)C(=O)NC(=O)N3

InChI

InChI=1S/C18H14N4O2/c23-17-15-16(20-18(24)21-17)22(11-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)19-15/h1-9H,10-11H2,(H,21,23,24)/p+1