97H

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

Created:	2017-04-27
Last modified:	2018-03-07

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1 entries where 97H 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 97H

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Chemical Component Summary
Name	2-(3-aminophenyl)-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(3-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	Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N
Canonical SMILES	CACTVS	3.385	Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N
InChI	InChI	1.03	InChI=1S/C14H11N3O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
InChIKey	InChI	1.03	XFJCGKHZUPJWNT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	21290245, 135567243

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.