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Summary Geometry Related PDB entries

C0P

Summary

Name:	4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE
Formula:	C16 H17 Cl3 N4 O2
Formal charge:	0
Formula weight:	403.691 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
OpenEye OEToolkits	1.6.1	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1nc(nc(c1)c3cc(OCCN2CCOCC2)c(Cl)cc3Cl)N
SMILES_CANONICAL	CACTVS	3.352	Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC3)c(Cl)cc2Cl
SMILES	CACTVS	3.352	Nc1nc(Cl)cc(n1)c2cc(OCCN3CCOCC3)c(Cl)cc2Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl
SMILES	OpenEye OEToolkits	1.6.1	c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl
InChI	InChI	1.03	InChI=1S/C16H17Cl3N4O2/c17-11-8-12(18)14(25-6-3-23-1-4-24-5-2-23)7-10(11)13-9-15(19)22-16(20)21-13/h7-9H,1-6H2,(H2,20,21,22)
InChIKey	InChI	1.03	LOXMPVJOMICPAW-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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