EM6

6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Created:	2015-10-10
Last modified:	2015-10-21

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1 entries where EM6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of EM6

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Chemical Component Summary
Name	6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula	C₁₀ H₁₀ N₄ O
Molecular Weight	202.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC1=C(C)N=C2N(NC=C2C#N)C1=O
SMILES	OpenEye OEToolkits	1.7.6	CCC1=C(N=C2C(=CNN2C1=O)C#N)C
Canonical SMILES	CACTVS	3.385	CCC1=C(C)N=C2N(NC=C2C#N)C1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCC1=C(N=C2C(=CNN2C1=O)C#N)C
InChI	InChI	1.03	InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3
InChIKey	InChI	1.03	PJIRQIUNBLUWJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3239476
ChEMBL	CHEMBL1608523

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