88X

5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one

Created:	2010-01-06
Last modified:	2012-01-05

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1 entries where 88X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of 88X

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Chemical Component Summary
Name	5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one
Formula	C₁₅ H₁₃ N₃ O₂
Molecular Weight	267.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.5	CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3
Canonical SMILES	CACTVS	3.385	CCC1=CC(=O)N=C2NC(=CN12)C(=O)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.5	CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3
InChI	InChI	1.03	InChI=1S/C15H13N3O2/c1-2-11-8-13(19)17-15-16-12(9-18(11)15)14(20)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17,19)
InChIKey	InChI	1.03	VHONGMGMJIQAAN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44820636, 135566514

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