2EC

9-ETHYL-9H-PURIN-6-YLAMINE

Created:	2011-03-25
Last modified:	2011-06-04

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2 entries where 2EC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

2D diagram of 2EC

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Chemical Component Summary
Name	9-ETHYL-9H-PURIN-6-YLAMINE
Systematic Name (OpenEye OEToolkits)	9-ethylpurin-6-amine
Formula	C₇ H₉ N₅
Molecular Weight	163.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2ncn(c2nc1)CC)N
SMILES	CACTVS	3.370	CCn1cnc2c(N)ncnc12
SMILES	OpenEye OEToolkits	1.7.0	CCn1cnc2c1ncnc2N
Canonical SMILES	CACTVS	3.370	CCn1cnc2c(N)ncnc12
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCn1cnc2c1ncnc2N
InChI	InChI	1.03	InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey	InChI	1.03	MUIPLRMGAXZWSQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7
ChEMBL	CHEMBL304009
CCDC/CSD	ATEXOM, WULXOQ, YUPPUX, POBJOI, ATEXUS, DPHEAD20, YUPNUV, EADPBA, ZZZGGK02, YUPPEH, QEDFEK, IMUEAD, WULYAD, EADBAC
COD	1507500

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.