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Summary

Name:	7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
Formula:	C17 H16 N4 O S2
Formal charge:	0
Formula weight:	356.465 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
OpenEye OEToolkits	2.0.7	7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncsc3c2[NH]1
InChI	InChI	1.03	InChI=1S/C17H16N4OS2/c1-9-6-18-13(10(2)15(9)22-3)7-23-17-20-11-4-5-12-16(14(11)21-17)24-8-19-12/h4-6,8H,7H2,1-3H3,(H,20,21)
InChIKey	InChI	1.03	LPMHHSWQQOYDFY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C
SMILES	CACTVS	3.385	COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3scn4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3scn4

223532

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