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Summary Geometry Related PDB entries

Obsolete: OWL

Summary

Name:	N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
Formula:	C18 H17 N7
Formal charge:	0
Formula weight:	331.374 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(1H-imidazol-2-yl)-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
OpenEye OEToolkits	1.7.6	N1-(1H-imidazol-2-yl)-N4-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4
InChI	InChI	1.03	InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25)
InChIKey	InChI	1.03	JHMXUERQMCJRHG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2
SMILES	CACTVS	3.385	[nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4

223532

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