P0B

6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione

Created:	2020-04-14
Last modified:	2020-07-15

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1 entries where P0B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of P0B

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Chemical Component Summary
Name	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
Formula	C₁₃ H₁₃ Cl F N₃ O₂
Molecular Weight	297.713
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl
SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2
Canonical SMILES	CACTVS	3.385	CN(CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2
InChI	InChI	1.03	InChI=1S/C13H13ClFN3O2/c1-18(6-8-5-12(19)17-13(20)16-8)7-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3,(H2,16,17,19,20)
InChIKey	InChI	1.03	WRXCNKOWDSUZRN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45794315

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