Q24

quinazoline-2,4-diamine

Created:	2011-04-07
Last modified:	2011-06-04

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2 entries where Q24 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

2D diagram of Q24

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Chemical Component Summary
Name	quinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	quinazoline-2,4-diamine
Formula	C₈ H₈ N₄
Molecular Weight	160.176
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(cccc1)c(nc2N)N
SMILES	CACTVS	3.370	Nc1nc(N)c2ccccc2n1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(nc(n2)N)N
Canonical SMILES	CACTVS	3.370	Nc1nc(N)c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(nc(n2)N)N
InChI	InChI	1.03	InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
InChIKey	InChI	1.03	XELRMPRLCPFTBH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL268354
PubChem	65087
ChEMBL	CHEMBL268354
CCDC/CSD	DUPYIW

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.