6E8

5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Created:	2016-03-21
Last modified:	2016-07-27

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1 entries where 6E8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	5

2D diagram of 6E8

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Chemical Component Summary
Name	5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	5-methyl-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula	C₁₁ H₁₂ N₄ O
Molecular Weight	216.239
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2nn1C(=O)C(C(C)C)=C(C)Nc1c2C#N
SMILES	CACTVS	3.385	CC(C)C1=C(C)Nc2n(ncc2C#N)C1=O
SMILES	OpenEye OEToolkits	2.0.4	CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)C1=C(C)Nc2n(ncc2C#N)C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C
InChI	InChI	1.03	InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3
InChIKey	InChI	1.03	UHVUUCAAVHIPKM-UHFFFAOYSA-N

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.