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LFN

Summary
Name:LUMIFLAVIN
Synonyms:7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE
Formula:C13 H12 N4 O2
Formal charge:0
Formula weight:256.26 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.047,8,10-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione
OpenEye OEToolkits1.5.07,8,10-trimethylbenzo[g]pteridine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C
SMILES_CANONICALCACTVS3.341CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
SMILESCACTVS3.341CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
SMILESOpenEye OEToolkits1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C
InChIInChI1.03InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)
InChIKeyInChI1.03KPDQZGKJTJRBGU-UHFFFAOYSA-N

225399

PDB entries from 2024-09-25

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