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Summary Geometry Related PDB entries

6TG

Summary

Name:	(2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine
Formula:	C23 H23 N5 O
Formal charge:	0
Formula weight:	385.462 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-[3-(pyrimidin-5-yl)phenyl]-2H-imidazol-4-amine
OpenEye OEToolkits	1.9.2	(2S)-2-(4-methoxy-3,5-dimethyl-phenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1=C(C(=NC1(c2cc(c(OC)c(c2)C)C)c4cccc(c3cncnc3)c4)N)C
InChI	InChI	1.03	InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1
InChIKey	InChI	1.03	PZSMDBYYYKPYFV-QHCPKHFHSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1c(C)cc(cc1C)[C@]2(N=C(C)C(=N2)N)c3cccc(c3)c4cncnc4
SMILES	CACTVS	3.385	COc1c(C)cc(cc1C)[C]2(N=C(C)C(=N2)N)c3cccc(c3)c4cncnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1OC)C)C2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4

227111

건을2024-11-06부터공개중

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