NIF

2-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Created:	2010-06-17
Last modified:	2011-06-04

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1 entries where NIF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	0

2D diagram of NIF

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Chemical Component Summary
Name	2-ethyl-7-piperazin-1-yl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Systematic Name (OpenEye OEToolkits)	2-ethyl-7-piperazin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Formula	C₁₁ H₁₅ N₅ O S
Molecular Weight	265.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=C(N=C2SC(=NN12)CC)N3CCNCC3
SMILES	CACTVS	3.370	CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3
SMILES	OpenEye OEToolkits	1.7.0	CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3
Canonical SMILES	CACTVS	3.370	CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3
InChI	InChI	1.03	InChI=1S/C11H15N5OS/c1-2-9-14-16-10(17)7-8(13-11(16)18-9)15-5-3-12-4-6-15/h7,12H,2-6H2,1H3
InChIKey	InChI	1.03	WUYNDJNASMITGA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	756604
ChEMBL	CHEMBL1234739

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