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

WRB

Summary

Name:	1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE
Synonyms:	BROMO-WR99210
Formula:	C14 H20 Br N5 O2
Formal charge:	0
Formula weight:	370.245 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits	1.5.0	1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2
SMILES_CANONICAL	CACTVS	3.341	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(Br)cc2
SMILES	CACTVS	3.341	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(Br)cc2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C
SMILES	OpenEye OEToolkits	1.5.0	CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C
InChI	InChI	1.03	InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)
InChIKey	InChI	1.03	MPXYCOHVHSXSDC-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

PDB statistics

PDBj update info

Contact PDBj

numon