BFW

4-N-Furfurylcytosine

Created:	2017-10-01
Last modified:	2018-05-02

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1 entries where BFW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	5

2D diagram of BFW

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Chemical Component Summary
Name	4-N-Furfurylcytosine
Systematic Name (OpenEye OEToolkits)	6-(furan-2-ylmethylamino)-1~{H}-pyrimidin-2-one
Formula	C₉ H₉ N₃ O₂
Molecular Weight	191.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=CC=N1)NCc2occc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CNC2=CC=NC(=O)N2
Canonical SMILES	CACTVS	3.385	O=C1NC(=CC=N1)NCc2occc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)CNC2=CC=NC(=O)N2
InChI	InChI	1.03	InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)
InChIKey	InChI	1.03	PPZNKEWLJJEHRV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	666825
ChEMBL	CHEMBL1699292

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.