9CE

2-(2-aminophenyl)-3~{H}-quinazolin-4-one

Created:	2017-05-05
Last modified:	2018-05-02

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1 entries where 9CE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of 9CE

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Chemical Component Summary
Name	2-(2-aminophenyl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(2-aminophenyl)-3~{H}-quinazolin-4-one
Formula	C₁₄ H₁₁ N₃ O
Molecular Weight	237.257
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccccc1C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N
Canonical SMILES	CACTVS	3.385	Nc1ccccc1C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N
InChI	InChI	1.03	InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
InChIKey	InChI	1.03	MDRBCQOOJMXHOC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135412953, 11287842

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