4JV

5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine

Created:	2015-03-24
Last modified:	2015-09-09

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1 entries where 4JV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

2D diagram of 4JV

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Chemical Component Summary
Name	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
Systematic Name (OpenEye OEToolkits)	5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine
Formula	C₁₆ H₁₆ N₄ O
Molecular Weight	280.324
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C
SMILES	CACTVS	3.385	Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N
InChI	InChI	1.03	InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
InChIKey	InChI	1.03	XITJNLVILSJJHU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2824489
ChEMBL	CHEMBL251257

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