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Summary Geometry Related PDB entries

6NH

Summary

Name:	2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:	C17 H14 N6 O
Formal charge:	0
Formula weight:	318.333 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboximidamide
OpenEye OEToolkits	1.5.0	2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(N)c1ccc2nc(nc2c1)c4nnc(c3ccccc3)c4O
SMILES_CANONICAL	CACTVS	3.341	NC(=N)c1ccc2[nH]c(nc2c1)c3n[nH]c(c3O)c4ccccc4
SMILES	CACTVS	3.341	NC(=N)c1ccc2[nH]c(nc2c1)c3n[nH]c(c3O)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)N
InChI	InChI	1.03	InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23)
InChIKey	InChI	1.03	CKSIVONWCYACAP-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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