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Summary Geometry Related PDB entries

A1IAZ

Summary

Name:	2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine
Formula:	C20 H21 N3 O2
Formal charge:	0
Formula weight:	335.4 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
InChIKey	InChI	1.06	WGZOTBUYUFBEPZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(n1)c2nc([nH]c2c3ccc4OCOc4c3)C(C)(C)C
SMILES	CACTVS	3.385	Cc1cccc(n1)c2nc([nH]c2c3ccc4OCOc4c3)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)c2c([nH]c(n2)C(C)(C)C)c3ccc4c(c3)OCO4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(n1)c2c([nH]c(n2)C(C)(C)C)c3ccc4c(c3)OCO4

250059

PDB entries from 2026-03-04

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