FFS

N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine

Created:	2018-03-28
Last modified:	2019-02-06

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1 entries where FFS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	22

2D diagram of FFS

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Chemical Component Summary
Name	N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	~{N}2-(3-chlorophenyl)-~{N}4-(furan-2-ylmethyl)quinazoline-2,4-diamine
Formula	C₁₉ H₁₅ Cl N₄ O
Molecular Weight	350.802
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
SMILES	CACTVS	3.385	Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4
Canonical SMILES	CACTVS	3.385	Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4
InChI	InChI	1.03	InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
InChIKey	InChI	1.03	KLRNKMZSARWWTH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1285085
ChEMBL	CHEMBL1198227

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.