A1BD5

oxopyricid

Created:2024-10-22
Last modified:  2024-10-30

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of A1BD5

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Chemical Component Summary

Nameoxopyricid
Systematic Name (OpenEye OEToolkits)2,4-bis(oxidanylidene)-1~{H}-pyrido[2,3-d]pyrimidine-6-carboxylic acid
FormulaC8 H5 N3 O4
Molecular Weight207.143
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)c1cnc2NC(=O)NC(=O)c2c1
SMILESCACTVS3.385OC(=O)c1cnc2NC(=O)NC(=O)c2c1
SMILESOpenEye OEToolkits3.1.0.0c1c(cnc2c1C(=O)NC(=O)N2)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1cnc2NC(=O)NC(=O)c2c1
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1c(cnc2c1C(=O)NC(=O)N2)C(=O)O
InChIInChI1.06 InChI=1S/C8H5N3O4/c12-6-4-1-3(7(13)14)2-9-5(4)10-8(15)11-6/h1-2H,(H,13,14)(H2,9,10,11,12,15)
InChIKeyInChI1.06 PCCNUUFPHRNLKB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 31661241