English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

ZHY

Summary

Name:	4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
Formula:	C20 H20 N4 O4
Formal charge:	0
Formula weight:	380.397 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
OpenEye OEToolkits	2.0.7	4-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1ccc(cc1)c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChI	InChI	1.03	InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)
InChIKey	InChI	1.03	LZLKDDDQYGMZTB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)=O)cc(OC)c1OC
SMILES	CACTVS	3.385	COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)=O)cc(OC)c1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C(=O)N

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon