YF3

2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL

Created:	2004-07-01
Last modified:	2011-06-04

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2 entries where YF3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of YF3

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Chemical Component Summary
Name	2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL
Systematic Name (OpenEye OEToolkits)	2-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]propane-1-thiol
Formula	C₉ H₁₆ N₄ S
Molecular Weight	212.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(N)c(cnc1C)CNC(C)CS
SMILES	CACTVS	3.341	C[CH](CS)NCc1cnc(C)nc1N
SMILES	OpenEye OEToolkits	1.5.0	Cc1ncc(c(n1)N)CNC(C)CS
Canonical SMILES	CACTVS	3.341	C[C@@H](CS)NCc1cnc(C)nc1N
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ncc(c(n1)N)CNC(C)CS
InChI	InChI	1.03	InChI=1S/C9H16N4S/c1-6(5-14)11-3-8-4-12-7(2)13-9(8)10/h4,6,11,14H,3,5H2,1-2H3,(H2,10,12,13)
InChIKey	InChI	1.03	BGGAKPFEDJLRDQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	448671

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