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Summary Geometry Related PDB entries

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Summary

Name:	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
Formula:	C14 H12 N6 O2 S
Formal charge:	0
Formula weight:	328.349 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
OpenEye OEToolkits	1.6.1	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[3-(1,2,3-dioxaziridin-3-yl)phenyl]pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(c1sc(nc1C)N)ccnc2Nc4cccc(N3OO3)c4
SMILES_CANONICAL	CACTVS	3.352	Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)n4oo4)n2
SMILES	CACTVS	3.352	Cc1nc(N)sc1c2ccnc(Nc3cccc(c3)n4oo4)n2
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4
SMILES	OpenEye OEToolkits	1.6.1	Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4
InChI	InChI	1.03	InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20-21-22-20/h2-7H,1H3,(H2,15,17)(H,16,18,19)
InChIKey	InChI	1.03	ZESXKVDYAMYFKD-UHFFFAOYSA-N

219140

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