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302

Summary
Name:4-[(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
ACDLabs10.044-[(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 OEToolkits1.5.04-[(E)-2-[(2,6-dioxo-3H-pyrimidin-4-yl)methylideneamino]oxyethoxyiminomethyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2NC(\C=N\OCCO\N=C\c1ccc(C(=O)O)cc1)=CC(=O)N2
SMILES_CANONICALCACTVS3.341OC(=O)c1ccc(cc1)\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2
SMILESCACTVS3.341OC(=O)c1ccc(cc1)C=NOCCON=CC2=CC(=O)NC(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C=NOCCON=CC2=CC(=O)NC(=O)N2)C(=O)O
InChIInChI1.03InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+
InChIKeyInChI1.03XHDKIDMFBWLHAX-GONBZBRSSA-N

222415

건을2024-07-10부터공개중

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