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

WCK

Summary

Name:	(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
Formula:	C18 H20 N6 O S
Formal charge:	0
Formula weight:	368.456 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
OpenEye OEToolkits	2.0.7	4-methyl-5-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1
InChI	InChI	1.06	InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
InChIKey	InChI	1.06	GPSZYOIFQZPWEJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2
SMILES	CACTVS	3.385	Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4

220113

PDB entries from 2024-05-22

PDB statistics

PDBj update info

Contact PDBj

numon