E7R

1,3-dimethyl-7-propyl-purine-2,6-dione

Created:	2019-11-13
Last modified:	2020-06-03

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1 entries where E7R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	5

2D diagram of E7R

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Chemical Component Summary
Name	1,3-dimethyl-7-propyl-purine-2,6-dione
Systematic Name (OpenEye OEToolkits)	1,3-dimethyl-7-propyl-purine-2,6-dione
Formula	C₁₀ H₁₄ N₄ O₂
Molecular Weight	222.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCn1cnc2N(C)C(=O)N(C)C(=O)c12
SMILES	OpenEye OEToolkits	2.0.7	CCCn1cnc2c1C(=O)N(C(=O)N2C)C
Canonical SMILES	CACTVS	3.385	CCCn1cnc2N(C)C(=O)N(C)C(=O)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCn1cnc2c1C(=O)N(C(=O)N2C)C
InChI	InChI	1.03	InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKey	InChI	1.03	HGFWMGARSDHJFP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	847168
ChEMBL	CHEMBL26455

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