620

N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine

Created:	2015-01-20
Last modified:	2015-08-12

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2 entries where 620 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of 620

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Chemical Component Summary
Name	N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
Systematic Name (OpenEye OEToolkits)	N1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine
Formula	C₁₅ H₁₆ N₆ O
Molecular Weight	296.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3nnn(NCc2cc(OCc1ccccc1)ccc2)c3N
SMILES	CACTVS	3.385	Nc1nnnn1NCc2cccc(OCc3ccccc3)c2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N
Canonical SMILES	CACTVS	3.385	Nc1nnnn1NCc2cccc(OCc3ccccc3)c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N
InChI	InChI	1.03	InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)
InChIKey	InChI	1.03	XCHYCELRMQJATG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	833835
ChEMBL	CHEMBL1389441

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