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Summary Geometry Related PDB entries

6N2

Summary

Name:	N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine
Formula:	C14 H21 N7 O
Formal charge:	0
Formula weight:	303.363 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine
OpenEye OEToolkits	2.0.4	1-[2-(2-morpholin-4-ylethylamino)-1~{H}-benzimidazol-5-yl]guanidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N\C(=N)Nc3ccc2nc(NCCN1CCOCC1)nc2c3
InChI	InChI	1.03	InChI=1S/C14H21N7O/c15-13(16)18-10-1-2-11-12(9-10)20-14(19-11)17-3-4-21-5-7-22-8-6-21/h1-2,9H,3-8H2,(H4,15,16,18)(H2,17,19,20)
InChIKey	InChI	1.03	GUEKBGQUTZFSQX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=N)Nc1ccc2[nH]c(NCCN3CCOCC3)nc2c1
SMILES	CACTVS	3.385	NC(=N)Nc1ccc2[nH]c(NCCN3CCOCC3)nc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3
SMILES	OpenEye OEToolkits	2.0.4	c1cc2c(cc1NC(=N)N)nc([nH]2)NCCN3CCOCC3

227344

건을2024-11-13부터공개중

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