FDR

2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

Created:	2011-06-29
Last modified:	2011-06-29

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2 entries where FDR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	5

2D diagram of FDR

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Chemical Component Summary
Name	2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₀ H₁₀ N₂ O S
Molecular Weight	206.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c3c(sc2N=C(N1)C)CCC3
SMILES	CACTVS	3.370	CC1=Nc2sc3CCCc3c2C(=O)N1
SMILES	OpenEye OEToolkits	1.7.2	CC1=Nc2c(c3c(s2)CCC3)C(=O)N1
Canonical SMILES	CACTVS	3.370	CC1=Nc2sc3CCCc3c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC1=Nc2c(c3c(s2)CCC3)C(=O)N1
InChI	InChI	1.03	InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)
InChIKey	InChI	1.03	SSAMSKJKRMKXFV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2807595, 5310897
ChEMBL	CHEMBL1300272

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