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Summary Geometry Related PDB entries

7X3

Summary

Name:	N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Formula:	C19 H20 Cl N5 O4
Formal charge:	0
Formula weight:	417.846 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(3-chloro-4-methoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits	1.5.0	N'-(3-chloro-4-methoxy-phenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3cc(Nc1ncnc(n1)Nc2cc(OC)c(OC)c(OC)c2)ccc3OC
SMILES_CANONICAL	CACTVS	3.341	COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl
SMILES	CACTVS	3.341	COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC
InChI	InChI	1.03	InChI=1S/C19H20ClN5O4/c1-26-14-6-5-11(7-13(14)20)23-18-21-10-22-19(25-18)24-12-8-15(27-2)17(29-4)16(9-12)28-3/h5-10H,1-4H3,(H2,21,22,23,24,25)
InChIKey	InChI	1.03	ZVWFECUPYCFYBL-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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