9AW

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

Created:	2017-05-04
Last modified:	2018-03-14

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1 entries where 9AW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	18

2D diagram of 9AW

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Chemical Component Summary
Name	2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one
Formula	C₁₉ H₁₃ N₃ O
Molecular Weight	299.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4
Canonical SMILES	CACTVS	3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4
InChI	InChI	1.03	InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)
InChIKey	InChI	1.03	YFPZUOWERSWGPK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567248, 72723891

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