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A1B7N

Summary
Name:(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde
Formula:C14 H12 N4 O3
Formal charge:0
Formula weight:284.27 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetaldehyde
OpenEye OEToolkits3.1.0.02-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]ethanal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC=O)c2cc1C
InChIInChI1.06InChI=1S/C14H12N4O3/c1-7-5-9-10(6-8(7)2)18(3-4-19)12-11(15-9)13(20)17-14(21)16-12/h4-6H,3H2,1-2H3,(H,17,20,21)
InChIKeyInChI1.06AUZWNAFEXXLJDA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC=O)c2cc1C
SMILESCACTVS3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC=O)c2cc1C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC=O
SMILESOpenEye OEToolkits3.1.0.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC=O

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PDB entries from 2026-01-21

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