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Summary Geometry Related PDB entries

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Summary

Name:	~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine
Formula:	C18 H20 Cl N7
Formal charge:	0
Formula weight:	369.851 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H20ClN7/c1-2-25-9-11-26(12-10-25)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H,21,22,23,24)
InChIKey	InChI	1.06	BZUWWBFNILEVHG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN1CCN(CC1)c2nc(Nc3ccc(Cl)cc3)c4nccnc4n2
SMILES	CACTVS	3.385	CCN1CCN(CC1)c2nc(Nc3ccc(Cl)cc3)c4nccnc4n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN1CCN(CC1)c2nc3c(c(n2)Nc4ccc(cc4)Cl)nccn3
SMILES	OpenEye OEToolkits	2.0.7	CCN1CCN(CC1)c2nc3c(c(n2)Nc4ccc(cc4)Cl)nccn3

250835

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