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Summary Geometry Related PDB entries

49J

Summary

Name:	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
Formula:	C17 H18 N4 O2 S
Formal charge:	0
Formula weight:	342.415 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
OpenEye OEToolkits	1.9.2	2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cc(cc2nsc(c12)N3CCOCC3)c4ccc(N)c(OC)c4
InChI	InChI	1.03	InChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3
InChIKey	InChI	1.03	AAUCXXCMBFZYRT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1N)c2cnc3c(snc3c2)N4CCOCC4
SMILES	CACTVS	3.385	COc1cc(ccc1N)c2cnc3c(snc3c2)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2
SMILES	OpenEye OEToolkits	1.9.2	COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2

223532

數據於2024-08-07公開中

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