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Summary Geometry Related PDB entries

UQG

Summary

Name:	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
Formula:	C18 H17 N5 O
Formal charge:	0
Formula weight:	319.36 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
OpenEye OEToolkits	2.0.7	4-[[6-(4-methylphenyl)-5-oxidanyl-pyrimidin-4-yl]amino]benzenecarboximidamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(cc3)/C(N)=N
InChI	InChI	1.03	InChI=1S/C18H17N5O/c1-11-2-4-12(5-3-11)15-16(24)18(22-10-21-15)23-14-8-6-13(7-9-14)17(19)20/h2-10,24H,1H3,(H3,19,20)(H,21,22,23)
InChIKey	InChI	1.03	FQSMNGLHSXWGEE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3)C(N)=N)c2O
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3)C(N)=N)c2O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2c(c(ncn2)Nc3ccc(cc3)C(=N)N)O

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