3FI

3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid


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Chemical Component Summary

Name3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
Identifiers3-[(E)-3-[(2,6-dioxo-3H-pyrimidin-4-yl)methylamino]propoxyiminomethyl]benzoic acid
FormulaC16 H18 N4 O5
Molecular Weight346.338
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2
InChIInChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-17-5-2-6-25-18-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-9,17H,2,5-6,10H2,(H,22,23)(H2,19,20,21,24)/b18-9+
InChIKeyDNNMFLCWPRQYIC-GIJQJNRQSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 25210526
ChEMBL CHEMBL1213370