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FCF

Summary
Name:3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
Formula:C15 H14 N4 O6
Formal charge:0
Formula weight:346.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
OpenEye OEToolkits1.5.03-[(E)-2-[(2,6-dioxo-3H-pyrimidin-4-yl)methylideneamino]oxyethoxyiminomethyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2NC(\C=N\OCCO\N=C\c1cccc(C(=O)O)c1)=CC(=O)N2
SMILES_CANONICALCACTVS3.341OC(=O)c1cccc(/C=N/OCCO\N=C\C2=CC(=O)NC(=O)N2)c1
SMILESCACTVS3.341OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2
InChIInChI1.03InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
InChIKeyInChI1.03TUYDQQMKXSQIQG-GONBZBRSSA-N

218500

PDB entries from 2024-04-17

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