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Summary Geometry Related PDB entries

KDU

Summary

Name:	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
Formula:	C19 H14 Cl2 N6 O
Formal charge:	0
Formula weight:	413.26 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
OpenEye OEToolkits	2.0.7	1-[2,3-bis(chloranyl)phenyl]-~{N}-[(2-pyridin-2-yloxyphenyl)methyl]-1,2,3,4-tetrazol-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
InChI	InChI	1.06	InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)
InChIKey	InChI	1.06	GMVNBKZQJFRFAR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(n2nnnc2NCc3ccccc3Oc4ccccn4)c1Cl
SMILES	CACTVS	3.385	Clc1cccc(n2nnnc2NCc3ccccc3Oc4ccccn4)c1Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2nnnn2c3cccc(c3Cl)Cl)Oc4ccccn4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2nnnn2c3cccc(c3Cl)Cl)Oc4ccccn4

226262

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