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Summary Geometry Related PDB entries

1DN

Summary

Name:	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Formula:	C20 H17 N7 O2 S
Formal charge:	0
Formula weight:	419.46 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
OpenEye OEToolkits	1.7.6	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccsc1c2nc5c(n2c4cc3nc(nc(N)c3cc4)N)cc(OC)c(OC)c5
InChI	InChI	1.03	InChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26)
InChIKey	InChI	1.03	WHHHBZDVDZWFFO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cc2nc(n(c3ccc4c(N)nc(N)nc4c3)c2cc1OC)c5sccn5
SMILES	CACTVS	3.370	COc1cc2nc(n(c3ccc4c(N)nc(N)nc4c3)c2cc1OC)c5sccn5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N
SMILES	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N

225946

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