9C5

2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one

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

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1 entries where 9C5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	12

2D diagram of 9C5

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Chemical Component Summary
Name	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
Formula	C₁₇ H₁₇ N₃ O₂
Molecular Weight	295.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.385	CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22)
InChIKey	InChI	1.03	HRBBDVCUROQJPS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567250, 72723893

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